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

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-2-28-23(27)19-12-14-25(15-13-19)17-22(26)24-21-11-7-6-10-20(21)16-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3,(H,24,26)/p+1