66602803
  -OEChem-04262401072D

 54 57  0     1  0  0  0  0  0999 V2000
    7.2310   -1.0849    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783   -0.4009    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.0962    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0357    0.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7028   -0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2028   -1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7777    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6274    1.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4883    1.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709    2.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4867   -1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7028   -0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7028   -2.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2028   -1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7028   -2.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6078   -0.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7368    0.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1014   -0.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1933    0.5193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377    1.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3620    1.4394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1933    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3742    1.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0614    0.9686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8519    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9905    2.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1248    2.2971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9609    2.3507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1803    2.7501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7809    1.9696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0726   -1.2913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252   -2.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9008   -2.2142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0128    0.1088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3928   -2.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -1.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -1.9408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -1.1588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8228   -1.2941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0128   -2.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  2  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 26  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 21  2  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 22  1  0  0  0  0
 17 44  1  0  0  0  0
 18 23  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 24  1  0  0  0  0
 20 49  1  0  0  0  0
 21 25  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  2  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  2  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  CHG  1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
66602803

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
558

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAWIAAAAwYAAAAAAAAFgBQAAAHAAAAAAADijBGAQywIMAAACgAyRiRACCAAAhAgAIiAA4ZIgIICLAkZGEIAhggADIyAcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,3-trimethyl-2-[(1,3,3-trimethylindolin-2-yl)methyl]indol-1-ium

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,3-trimethyl-2-[(1,3,3-trimethyl-2H-indol-2-yl)methyl]indol-1-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,3-trimethyl-2-[(1,3,3-trimethyl-2<I>H</I>-indol-2-yl)methyl]indol-1-ium

> <PUBCHEM_IUPAC_NAME>
1,3,3-trimethyl-2-[(1,3,3-trimethyl-2H-indol-2-yl)methyl]indol-1-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,3-trimethyl-2-[(1,3,3-trimethyl-2H-indol-2-yl)methyl]indol-1-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,3-trimethyl-2-[(1,3,3-trimethylindolin-2-yl)methyl]indol-1-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H29N2/c1-22(2)16-11-7-9-13-18(16)24(5)20(22)15-21-23(3,4)17-12-8-10-14-19(17)25(21)6/h7-14,20H,15H2,1-6H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
MZPGFEYHUDUYFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
333.233073934

> <PUBCHEM_MOLECULAR_FORMULA>
C23H29N2+

> <PUBCHEM_MOLECULAR_WEIGHT>
333.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(N(C2=CC=CC=C21)C)CC3=[N+](C4=CC=CC=C4C3(C)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C(N(C2=CC=CC=C21)C)CC3=[N+](C4=CC=CC=C4C3(C)C)C)C

> <PUBCHEM_CACTVS_TPSA>
6.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
333.233073934

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
12  20  8
13  21  8
17  22  8
18  23  8
20  24  8
21  25  8
22  23  8
24  25  8
3  5  3
8  17  8
8  9  8
9  18  8

$$$$