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

Systemtic Name: (3S)-4-[(4-chlorophenyl)amino]-4-oxidanylidene-3-piperidin-1-ium-1-yl-butanoate Openeye Name: (3S)-4-(4-chloroanilino)-4-oxo-3-piperidin-1-ium-1-yl-butanoate CAS Name: (3S)-4-(4-chloroanilino)-4-oxo-3-(1-piperidin-1-iumyl)butanoate IUPAC Name: (3S)-4-(4-chloroanilino)-4-oxo-3-piperidin-1-ium-1-ylbutanoate Traditional Name: (3S)-4-(4-chloroanilino)-4-keto-3-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)[O-])C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O3/c16-11-4-6-12(7-5-11)17-15(21)13(10-14(19)20)18-8-2-1-3-9-18/h4-7,13H,1-3,8-10H2,(H,17,21)(H,19,20)/t13-/m0/s1