(2R)-4-[(3-chlorophenyl)amino]-2-(cyclopentylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chlorophenyl)amino]-2-(cyclopentylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloroanilino)-2-(cyclopentylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloroanilino)-2-(cyclopentylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloroanilino)-2-(cyclopentylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloroanilino)-2-(cyclopentylammonio)-4-keto-butyrate Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH2+]C(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C15H19ClN2O3/c16-10-4-3-7-12(8-10)18-14(19)9-13(15(20)21)17-11-5-1-2-6-11/h3-4,7-8,11,13,17H,1-2,5-6,9H2,(H,18,19)(H,20,21)/t13-/m1/s1