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

Systemtic Name: 1-[(2,3-dimethylphenyl)azaniumyl]-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-olate Openeye Name: 1-[(2,3-dimethylphenyl)ammonio]-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-olate CAS Name: 1-[(2,3-dimethylphenyl)ammonio]-3-(2,3-diphenyl-1-benzo[g]indolyl)-2-propanolate IUPAC Name: 1-[(2,3-dimethylphenyl)azaniumyl]-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-olate Traditional Name: 1-[(2,3-dimethylphenyl)ammonio]-3-(2,3-diphenylbenz[g]indol-1-yl)propan-2-olate Formula: C35H32N2O MolecularWeight: 496.64138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[NH2+]CC(CN2C(=C(C3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)[NH2+]CC(CN2C(=C(C3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6)[O-])C

InChI

InChI=1S/C35H31N2O/c1-24-12-11-19-32(25(24)2)36-22-29(38)23-37-34(28-16-7-4-8-17-28)33(27-14-5-3-6-15-27)31-21-20-26-13-9-10-18-30(26)35(31)37/h3-21,29,36H,22-23H2,1-2H3/q-1/p+1