6209
  -OEChem-11242522102D

 22 20  0     0  0  0  0  0  0999 V2000
    2.0190    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.0010    4.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.9030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    5.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    4.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    4.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
6209

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
46.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAAAADhgAYCAAMAAgAAAAAAAAAAAAAAAAAAAAAIAAACEAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxyethyl(trimethyl)ammonium chloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxyethyl(trimethyl)ammonium chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-hydroxyethyl(trimethyl)azanium chloride

> <PUBCHEM_IUPAC_NAME>
2-hydroxyethyl(trimethyl)azanium chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-hydroxyethyl(trimethyl)azanium chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxyethyl(trimethyl)ammonium chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
SGMZJAMFUVOLNK-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
139.0763918

> <PUBCHEM_MOLECULAR_FORMULA>
C5H14ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
139.62

> <PUBCHEM_SMILES>
C[N+](C)(C)CCO.[Cl-]

> <PUBCHEM_CONNECTIVITY_SMILES>
C[N+](C)(C)CCO.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
139.0763918

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
