ethyl (3S)-1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-benzylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[2-(phenylmethyl)anilino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-benzylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-benzylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-2-28-23(27)20-12-8-14-25(16-20)17-22(26)24-21-13-7-6-11-19(21)15-18-9-4-3-5-10-18/h3-7,9-11,13,20H,2,8,12,14-17H2,1H3,(H,24,26)/p+1/t20-/m0/s1