101744
  -OEChem-11242522502D

 44 47  0     1  0  0  0  0  0999 V2000
    3.8000    0.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2237    1.4507    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660   -3.2650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0897    1.9507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5321    0.2350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4980   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4789    1.3987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4603    3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0563    0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5942    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4186    1.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1847    1.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8258    2.3757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3163    0.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3317   -0.6211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0936   -0.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880    2.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0143    3.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660    3.8454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7774   -0.0614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6142    0.2218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2999    3.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402    2.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5263    2.3513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0770    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673    1.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.4550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.6104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -3.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.4321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.0979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  1 36  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 17  1  0  0  0  0
  3 19  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  1  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  6  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  1  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 19  1  0  0  0  0
 16 39  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
101744

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
412

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8WLFiAAAAAACx8AAAHgAACAAADTzhngY8wPMIEgCgAzRnRACCgCAxAiAI2CA4bJgKNuLAkZGEcAhkwAHY2AewwPAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(R)-4-quinolyl-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>R</I>)-[(2<I>S</I>,4<I>S</I>,5<I>R</I>)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

> <PUBCHEM_IUPAC_NAME>
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(R)-4-quinolyl-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
KMPWYEUPVWOPIM-KODHJQJWSA-N

> <PUBCHEM_XLOGP3>
2.7

> <PUBCHEM_EXACT_MASS>
294.173213330

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
294.4

> <PUBCHEM_SMILES>
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O

> <PUBCHEM_CONNECTIVITY_SMILES>
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O

> <PUBCHEM_CACTVS_TPSA>
36.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
294.173213330

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  1  5
13  14  8
13  16  8
14  17  8
14  18  8
16  19  8
17  20  8
18  21  8
20  22  8
21  22  8
3  17  8
3  19  8
4  23  5
5  24  6
7  12  5

$$$$
