methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-3-yl)phenyl]carbonylamino]-5-phenyl-pentanoate

Systemtic Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-3-yl)phenyl]carbonylamino]-5-phenyl-pentanoate Openeye Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-3-yl)benzoyl]amino]-5-phenyl-pentanoate CAS Name: 2-[[3-(1-iminoethyl)phenyl]methyl]-3-[[[4-(1-methyl-3-pyridin-1-iumyl)phenyl]-oxomethyl]amino]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-3-yl)benzoyl]amino]-5-phenylpentanoate Traditional Name: 2-(3-acetimidoylbenzyl)-3-[[4-(1-methylpyridin-1-ium-3-yl)benzoyl]amino]-5-phenyl-valeric acid methyl ester Formula: C34H36N3O3+ MolecularWeight: 534.66794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C1=CC(=CC=C1)CC(C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=C[N+](=CC=C4)C)C(=O)OC

Isomeric SMILES

CC(=N)C1=CC(=CC=C1)CC(C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=C[N+](=CC=C4)C)C(=O)OC

InChI

InChI=1S/C34H35N3O3/c1-24(35)29-12-7-11-26(21-29)22-31(34(39)40-3)32(19-14-25-9-5-4-6-10-25)36-33(38)28-17-15-27(16-18-28)30-13-8-20-37(2)23-30/h4-13,15-18,20-21,23,31-32,35H,14,19,22H2,1-3H3/p+1