23724422
  -OEChem-04242420242D

 37 38  0     0  0  0  0  0  0999 V2000
    9.3300    3.8485    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.2152    0.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364    6.4330    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    2.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    3.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150    4.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7470    7.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    3.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    5.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935    4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472    5.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7255    7.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4078    0.2259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1118    3.8367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7265    8.0032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1332    7.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7109    5.8166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0438    6.6883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2076    4.2767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    5.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8534    6.9831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3322    7.7176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5977    8.1964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 21  1  0  0  0  0
  8 13  2  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 24  1  0  0  0  0
 11 20  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 19  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
23724422

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
304

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHAAQAAAADAjBHgQ+wPPNkACgAzRnRACCgCAxAiAI2aA4ZJgIIOLAkZGEIAhgkADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(E)-2-(1-ethylpyridin-1-ium-4-yl)vinyl]-1H-indole;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(E)-2-(1-ethyl-4-pyridin-1-iumyl)ethenyl]-1H-indole;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(<I>E</I>)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-1<I>H</I>-indole;chloride

> <PUBCHEM_IUPAC_NAME>
3-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-1H-indole;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-1H-indole;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(E)-2-(1-ethylpyridin-1-ium-4-yl)vinyl]-1H-indole;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H16N2.ClH/c1-2-19-11-9-14(10-12-19)7-8-15-13-18-17-6-4-3-5-16(15)17;/h3-13H,2H2,1H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
FAWDVLGCPLCNLZ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
284.1080262

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17ClN2

> <PUBCHEM_MOLECULAR_WEIGHT>
284.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC[N+]1=CC=C(C=C1)C=CC2=CNC3=CC=CC=C32.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[N+]1=CC=C(C=C1)/C=C/C2=CNC3=CC=CC=C32.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
19.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.1080262

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  18  8
12  19  8
14  16  8
15  17  8
18  19  8
2  6  8
2  7  8
3  14  8
3  15  8
4  10  8
4  5  8
4  6  8
5  7  8
6  12  8
9  16  8
9  17  8

$$$$