18528944
  -OEChem-05142402002D

 64 67  0     0  0  0  0  0  0999 V2000
   10.8681    5.8285    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    5.3285    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.7341    6.3285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3681    6.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3681    4.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.0369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1350    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   10.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    9.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   11.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    6.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    6.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    3.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    8.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    8.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    3.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    9.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    9.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    5.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    2.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    3.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210   11.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   11.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810   11.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  2 30  1  0  0  0  0
  2 38  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 25  1  0  0  0  0
 17 41  1  0  0  0  0
 18 26  2  0  0  0  0
 18 42  1  0  0  0  0
 19 28  1  0  0  0  0
 19 43  1  0  0  0  0
 20 29  2  0  0  0  0
 20 44  1  0  0  0  0
 21 31  1  0  0  0  0
 21 45  1  0  0  0  0
 22 32  2  0  0  0  0
 22 46  1  0  0  0  0
 23 33  1  0  0  0  0
 23 47  1  0  0  0  0
 24 34  2  0  0  0  0
 24 48  1  0  0  0  0
 25 30  2  0  0  0  0
 25 49  1  0  0  0  0
 26 30  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 37  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 31 35  2  0  0  0  0
 31 53  1  0  0  0  0
 32 35  1  0  0  0  0
 32 54  1  0  0  0  0
 33 36  2  0  0  0  0
 33 55  1  0  0  0  0
 34 36  1  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
 36 58  1  0  0  0  0
 37 59  1  0  0  0  0
 37 60  1  0  0  0  0
 37 61  1  0  0  0  0
 38 62  1  0  0  0  0
 38 63  1  0  0  0  0
 38 64  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
18528944

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
631

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAEAAAAAAAAAAAAAAAAAAAAAAA8YMGCAAAAAAAB1AAAHgAAAAAADAyBngIyxpMMFACgAyRiRACCiCAhIiAImCA2bJgMJuLEsZuEMChkwBHI6AewwMAOwEAAAAAAAACAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-methoxyphenyl)-2,6-diphenyl-4-(p-tolyl)pyridin-1-ium;perchlorate

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-methoxyphenyl)-4-(4-methylphenyl)-2,6-diphenylpyridin-1-ium;perchlorate

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-methoxyphenyl)-4-(4-methylphenyl)-2,6-diphenylpyridin-1-ium;perchlorate

> <PUBCHEM_IUPAC_NAME>
1-(4-methoxyphenyl)-4-(4-methylphenyl)-2,6-diphenylpyridin-1-ium;perchlorate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-methoxyphenyl)-4-(4-methylphenyl)-2,6-diphenyl-pyridin-1-ium;perchlorate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-methoxyphenyl)-2,6-diphenyl-4-(p-tolyl)pyridin-1-ium;perchlorate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H26NO.ClHO4/c1-23-13-15-24(16-14-23)27-21-30(25-9-5-3-6-10-25)32(28-17-19-29(33-2)20-18-28)31(22-27)26-11-7-4-8-12-26;2-1(3,4)5/h3-22H,1-2H3;(H,2,3,4,5)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
FNEDGNWCCWVLED-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
527.1499506

> <PUBCHEM_MOLECULAR_FORMULA>
C31H26ClNO5

> <PUBCHEM_MOLECULAR_WEIGHT>
528.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

> <PUBCHEM_CACTVS_TPSA>
87.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
527.1499506

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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  11  8
10  12  8
13  17  8
13  18  8
14  21  8
14  22  8
15  23  8
15  24  8
16  19  8
16  20  8
17  25  8
18  26  8
19  28  8
20  29  8
21  31  8
22  32  8
23  33  8
24  34  8
25  30  8
26  30  8
27  28  8
27  29  8
31  35  8
32  35  8
33  36  8
34  36  8
7  8  8
7  9  8
8  11  8
9  12  8

$$$$