70107
  -OEChem-05241319012D

 19 18  0     0  0  0  0  0  0999 V2000
    1.5860    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    3.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
70107

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
70.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiAAAAAgAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAAAAAACAjBFgQ+gJMMEACgATRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2-dimethylpyridin-1-ium;iodide

> <PUBCHEM_IUPAC_CAS_NAME>
1,2-dimethylpyridin-1-ium;iodide

> <PUBCHEM_IUPAC_NAME>
1,2-dimethylpyridin-1-ium;iodide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-dimethylpyridin-1-ium;iodide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2-dimethylpyridin-1-ium;iodide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H10N.HI/c1-7-5-3-4-6-8(7)2;/h3-6H,1-2H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
HNULCUYNXDDQCB-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
234.985797

> <PUBCHEM_MOLECULAR_FORMULA>
C7H10IN

> <PUBCHEM_MOLECULAR_WEIGHT>
235.06547

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=CC=[N+]1C.[I-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=CC=[N+]1C.[I-]

> <PUBCHEM_CACTVS_TPSA>
3.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
234.985797

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  3  8
2  4  8
3  5  8
4  8  8
5  9  8
8  9  8

$$$$