79454
  -OEChem-05261300132D

 30 30  0     0  0  0  0  0  0999 V2000
    2.4598    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    3.2152    4.0356    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2152    5.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    4.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0252    6.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078    6.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    4.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    3.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3888    5.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5275    6.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6617    6.7337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978    6.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    7.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3178    6.4061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    4.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4188    4.8404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    5.4604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.4604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    2.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7185    2.4958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    3.2777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  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 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
79454

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
250

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByAAAAAgAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAEABAAAAHAAAAAAADgiBGAQywIMAAACgAyRiRACCAAAhAgAIiAA4ZIgIICLAkZGEIAhggABIyAcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,3,3-tetramethylindol-1-ium;iodide

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,3-tetramethylindol-1-ium;iodide

> <PUBCHEM_IUPAC_NAME>
1,2,3,3-tetramethylindol-1-ium;iodide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,3-tetramethylindol-1-ium;iodide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,3-tetramethylindol-1-ium;iodide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H16N.HI/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-8H,1-4H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
HCYIOKVZAATOEW-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
301.032748

> <PUBCHEM_MOLECULAR_FORMULA>
C12H16IN

> <PUBCHEM_MOLECULAR_WEIGHT>
301.16661

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=[N+](C2=CC=CC=C2C1(C)C)C.[I-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=[N+](C2=CC=CC=C2C1(C)C)C.[I-]

> <PUBCHEM_CACTVS_TPSA>
3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
301.032748

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
10  13  8
11  14  8
13  14  8
5  10  8
5  6  8
6  11  8

$$$$