methyl 1-[2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[2-(m-tolylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-[(3-methylanilino)-oxomethyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[2-(m-tolylcarbamoyl)anilino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C23H27N3O4/c1-16-6-5-7-18(14-16)24-22(28)19-8-3-4-9-20(19)25-21(27)15-26-12-10-17(11-13-26)23(29)30-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,28)(H,25,27)/p+1