1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[(4-propan-2-ylphenyl)azaniumyl]propan-2-olate

Systemtic Name: 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[(4-propan-2-ylphenyl)azaniumyl]propan-2-olate Openeye Name: 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[(4-isopropylphenyl)ammonio]propan-2-olate CAS Name: 1-(2,3-diphenyl-1-benzo[g]indolyl)-3-[(4-propan-2-ylphenyl)ammonio]-2-propanolate IUPAC Name: 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[(4-propan-2-ylphenyl)azaniumyl]propan-2-olate Traditional Name: 1-(2,3-diphenylbenz[g]indol-1-yl)-3-(p-cumenylammonio)propan-2-olate Formula: C36H34N2O MolecularWeight: 510.66796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[NH2+]CC(CN2C(=C(C3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[NH2+]CC(CN2C(=C(C3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6)[O-]

InChI

InChI=1S/C36H33N2O/c1-25(2)26-17-20-30(21-18-26)37-23-31(39)24-38-35(29-14-7-4-8-15-29)34(28-12-5-3-6-13-28)33-22-19-27-11-9-10-16-32(27)36(33)38/h3-22,25,31,37H,23-24H2,1-2H3/q-1/p+1