(2R)-4-[(5-chloranyl-2-methyl-phenyl)amino]-2-(dimethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(5-chloranyl-2-methyl-phenyl)amino]-2-(dimethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(5-chloro-2-methyl-anilino)-2-(dimethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(5-chloro-2-methylanilino)-2-(dimethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(5-chloro-2-methylanilino)-2-(dimethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(5-chloro-2-methyl-anilino)-2-(dimethylammonio)-4-keto-butyrate Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)[O-])[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C[C@H](C(=O)[O-])[NH+](C)C

InChI

InChI=1S/C13H17ClN2O3/c1-8-4-5-9(14)6-10(8)15-12(17)7-11(13(18)19)16(2)3/h4-6,11H,7H2,1-3H3,(H,15,17)(H,18,19)/t11-/m1/s1