5-[2-(4-carboxyphenyl)-1-(phenylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxy-benzenesulfonate

Systemtic Name: 5-[2-(4-carboxyphenyl)-1-(phenylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxy-benzenesulfonate Openeye Name: 5-[1-benzyl-2-(4-carboxyphenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxy-benzenesulfonate CAS Name: 5-[2-(4-carboxyphenyl)-1-(phenylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxybenzenesulfonate IUPAC Name: 5-[1-benzyl-2-(4-carboxyphenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxybenzenesulfonate Traditional Name: 5-[1-benzyl-2-(4-carboxyphenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxy-besylate Formula: C34H27NO6S MolecularWeight: 577.64628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=[N+](C3=C2CCC4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)O)S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=[N+](C3=C2CCC4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)O)S(=O)(=O)[O-]

InChI

InChI=1S/C34H27NO6S/c1-41-31-18-16-26(19-32(31)42(38,39)40)29-20-30(24-11-13-25(14-12-24)34(36)37)35(21-22-7-3-2-4-8-22)33-27-10-6-5-9-23(27)15-17-28(29)33/h2-14,16,18-20H,15,17,21H2,1H3,(H-,36,37,38,39,40)