(2R)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(3-chloroanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(3-chloroanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(3-chloroanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(3-chloroanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C15H19ClN2O3/c16-11-5-4-6-12(9-11)17-14(19)10-13(15(20)21)18-7-2-1-3-8-18/h4-6,9,13H,1-3,7-8,10H2,(H,17,19)(H,20,21)/t13-/m1/s1