59503359
  -OEChem-04232412322D

 17 16  0     0  0  0  0  0  0999 V2000
    3.4538    2.5595    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7505    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    2.2521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557    1.5589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764    1.5589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.5595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
59503359

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
71.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiIAAAAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAACAyBkAAwxoBAAgCAACRCQACCAAAgIgAIiAAGbIgIJiKCkZOAcABk0BEI2AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-hydroxyphenyl)ammonium;iodide

> <PUBCHEM_IUPAC_CAS_NAME>
(4-hydroxyphenyl)ammonium;iodide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-hydroxyphenyl)azanium;iodide

> <PUBCHEM_IUPAC_NAME>
(4-hydroxyphenyl)azanium;iodide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-hydroxyphenyl)azanium;iodide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-hydroxyphenyl)ammonium;iodide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H7NO.HI/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
MTSGGRZKZDMQJK-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
236.96506

> <PUBCHEM_MOLECULAR_FORMULA>
C6H8INO

> <PUBCHEM_MOLECULAR_WEIGHT>
237.04

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1[NH3+])O.[I-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1[NH3+])O.[I-]

> <PUBCHEM_CACTVS_TPSA>
47.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.96506

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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_NONSTANDARDBOND>
1  3  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  5  8
4  6  8
5  7  8
6  8  8
7  9  8
8  9  8

$$$$