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

Systemtic Name: (2R)-4-[(4-chlorophenyl)amino]-2-(diethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chloroanilino)-2-(diethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-chloroanilino)-2-(diethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-chloroanilino)-2-(diethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chloroanilino)-2-(diethylammonio)-4-keto-butyrate Formula: C14H19ClN2O3 MolecularWeight: 298.76526

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@H](CC(=O)NC1=CC=C(C=C1)Cl)C(=O)[O-]

InChI

InChI=1S/C14H19ClN2O3/c1-3-17(4-2)12(14(19)20)9-13(18)16-11-7-5-10(15)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,16,18)(H,19,20)/t12-/m1/s1