ethyl (3S)-1-[(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H24ClN2O3+ MolecularWeight: 339.83706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H23ClN2O3/c1-3-23-17(22)13-6-5-9-20(11-13)12(2)16(21)19-15-8-4-7-14(18)10-15/h4,7-8,10,12-13H,3,5-6,9,11H2,1-2H3,(H,19,21)/p+1/t12-,13-/m0/s1