methyl 1-[9-(5-methoxycarbonylindol-1-yl)nonyl]quinolin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[9-(5-methoxycarbonylindol-1-yl)nonyl]quinolin-1-ium-3-carboxylate Openeye Name: methyl 1-[9-(5-methoxycarbonylindol-1-yl)nonyl]quinolin-1-ium-3-carboxylate CAS Name: 1-[9-(5-methoxycarbonyl-1-indolyl)nonyl]-3-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[9-(5-methoxycarbonylindol-1-yl)nonyl]quinolin-1-ium-3-carboxylate Traditional Name: 1-[9-(5-carbomethoxyindol-1-yl)nonyl]quinolin-1-ium-3-carboxylic acid methyl ester Formula: C30H35N2O4+ MolecularWeight: 487.6099

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2)CCCCCCCCC[N+]3=CC(=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2)CCCCCCCCC[N+]3=CC(=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C30H35N2O4/c1-35-29(33)25-14-15-28-24(20-25)16-19-31(28)17-10-6-4-3-5-7-11-18-32-22-26(30(34)36-2)21-23-12-8-9-13-27(23)32/h8-9,12-16,19-22H,3-7,10-11,17-18H2,1-2H3/q+1