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

Systemtic Name: methyl 1-[2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[3-(methylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[3-(methylcarbamoyl)anilino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H23N3O4/c1-18-16(22)13-4-3-5-14(10-13)19-15(21)11-20-8-6-12(7-9-20)17(23)24-2/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,22)(H,19,21)/p+1