2-azanyl-6-[4-(4-methoxy-3-sulfo-phenyl)-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-azanyl-6-[4-(4-methoxy-3-sulfo-phenyl)-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl]hexanoic acid Openeye Name: 2-amino-6-[4-(4-methoxy-3-sulfo-phenyl)-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl]hexanoic acid CAS Name: 2-amino-6-[4-(4-methoxy-3-sulfophenyl)-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl]hexanoic acid IUPAC Name: 2-amino-6-[4-(4-methoxy-3-sulfophenyl)-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl]hexanoic acid Traditional Name: 2-amino-6-[4-(4-methoxy-3-sulfo-phenyl)-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl]hexanoic acid Formula: C32H33N2O6S+ MolecularWeight: 573.67922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H32N2O6S/c1-40-29-17-15-23(19-30(29)41(37,38)39)26-20-28(22-10-3-2-4-11-22)34(18-8-7-13-27(33)32(35)36)31-24-12-6-5-9-21(24)14-16-25(26)31/h2-6,9-12,15,17,19-20,27H,7-8,13-14,16,18,33H2,1H3,(H-,35,36,37,38,39)/p+1