ethyl (3R)-1-[3-[(2-chlorophenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-[(2-chlorophenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(2-chloroanilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[3-(2-chloroanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[3-(2-chloroanilino)-3-keto-propyl]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)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C17H23ClN2O3/c1-2-23-17(22)13-6-5-10-20(12-13)11-9-16(21)19-15-8-4-3-7-14(15)18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,21)/p+1/t13-/m1/s1