1-(4-methylphenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate

Systemtic Name: 1-(4-methylphenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate Openeye Name: 4-phenyl-1-(p-tolyl)-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate CAS Name: 1-(4-methylphenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate IUPAC Name: 1-(4-methylphenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate Traditional Name: 4-phenyl-1-(p-tolyl)-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate Formula: C27H21NO2 MolecularWeight: 391.46114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C=C(C3=C2C4=CC=CC=C4CC3)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(C=C(C3=C2C4=CC=CC=C4CC3)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C27H21NO2/c1-18-11-14-21(15-12-18)28-25(27(29)30)17-24(19-7-3-2-4-8-19)23-16-13-20-9-5-6-10-22(20)26(23)28/h2-12,14-15,17H,13,16H2,1H3