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

Systemtic Name: methyl 1-[(5-methoxycarbonylindol-1-yl)methyl]quinolin-1-ium-3-carboxylate Openeye Name: methyl 1-[(5-methoxycarbonylindol-1-yl)methyl]quinolin-1-ium-3-carboxylate CAS Name: 1-[(5-methoxycarbonyl-1-indolyl)methyl]-3-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-methoxycarbonylindol-1-yl)methyl]quinolin-1-ium-3-carboxylate Traditional Name: 1-[(5-carbomethoxyindol-1-yl)methyl]quinolin-1-ium-3-carboxylic acid methyl ester Formula: C22H19N2O4+ MolecularWeight: 375.39726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N2O4/c1-27-21(25)17-7-8-20-16(11-17)9-10-23(20)14-24-13-18(22(26)28-2)12-15-5-3-4-6-19(15)24/h3-13H,14H2,1-2H3/q+1