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

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-benzoylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-benzoylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-benzoylanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-28-22(27)17-11-13-24(14-12-17)15-20(25)23-19-10-6-5-9-18(19)21(26)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,23,25)/p+1