methyl 4-[[4-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(3-methoxyanilino)-3-oxo-propyl]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[3-(3-methoxyanilino)-3-oxopropyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(3-methoxyanilino)-3-oxopropyl]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-keto-3-(m-anisidino)propyl]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H30N2O4/c1-29-22-5-3-4-21(16-22)25-23(27)11-8-18-12-14-26(15-13-18)17-19-6-9-20(10-7-19)24(28)30-2/h3-7,9-10,16,18H,8,11-15,17H2,1-2H3,(H,25,27)/p+1