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

Systemtic Name: (3S)-4-[(4-chlorophenyl)amino]-4-oxidanylidene-3-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: (3S)-4-(4-chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (3S)-4-(4-chloroanilino)-4-oxo-3-(1-pyrrolidin-1-iumyl)butanoate IUPAC Name: (3S)-4-(4-chloroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (3S)-4-(4-chloroanilino)-4-keto-3-pyrrolidin-1-ium-1-yl-butyrate Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CC(=O)[O-])C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CC(=O)[O-])C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN2O3/c15-10-3-5-11(6-4-10)16-14(20)12(9-13(18)19)17-7-1-2-8-17/h3-6,12H,1-2,7-9H2,(H,16,20)(H,18,19)/t12-/m0/s1