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

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-benzylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[2-(phenylmethyl)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-benzylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-benzylanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-27-22(26)18-11-13-24(14-12-18)16-21(25)23-20-10-6-5-9-19(20)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,25)/p+1