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

Systemtic Name: (2R)-4-[(4-chlorophenyl)amino]-2-(2-dimethylaminoethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chloroanilino)-2-(2-dimethylaminoethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-chloroanilino)-2-(2-dimethylaminoethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-chloroanilino)-2-(2-dimethylaminoethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chloroanilino)-2-(2-dimethylaminoethylammonio)-4-keto-butyrate Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]C(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)[O-]

Isomeric SMILES

CN(C)CC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)Cl)C(=O)[O-]

InChI

InChI=1S/C14H20ClN3O3/c1-18(2)8-7-16-12(14(20)21)9-13(19)17-11-5-3-10(15)4-6-11/h3-6,12,16H,7-9H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1