70654183
  -OEChem-05132400282D

 36 34  0     0  0  0  0  0  0999 V2000
    6.1350    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1180    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2690    7.3330    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.1350    7.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    6.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    8.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    6.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    7.2960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    8.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    8.3699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0930    7.3699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    6.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    6.2960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059    8.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590    8.7359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    7.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3059    6.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5380    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5380    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    4.1180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 33  1  0  0  0  0
  2 36  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 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  CHG  2   2  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
70654183

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
118

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAACAAADASAmAQyBoMAAgCAAiBCAAACAAAgIAAIiAAOCIgIJiKCERKAcAAkwBEImAeAwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetramethylammonium;2-vinylphenol;hydroxide

> <PUBCHEM_IUPAC_CAS_NAME>
2-ethenylphenol;tetramethylammonium;hydroxide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-ethenylphenol;tetramethylazanium;hydroxide

> <PUBCHEM_IUPAC_NAME>
2-ethenylphenol;tetramethylazanium;hydroxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-ethenylphenol;tetramethylazanium;hydroxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetramethylammonium;2-vinylphenol;hydroxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8O.C4H12N.H2O/c1-2-7-5-3-4-6-8(7)9;1-5(2,3)4;/h2-6,9H,1H2;1-4H3;1H2/q;+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
UNHQQIVDLCYQOV-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
211.157228913

> <PUBCHEM_MOLECULAR_FORMULA>
C12H21NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
211.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+](C)(C)C.C=CC1=CC=CC=C1O.[OH-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+](C)(C)C.C=CC1=CC=CC=C1O.[OH-]

> <PUBCHEM_CACTVS_TPSA>
21.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
211.157228913

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
8  10  8
8  9  8
9  11  8

$$$$