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

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(benzylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O3/c1-21-16(20)14-7-9-18(10-8-14)12-15(19)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,19)/p+1