(2R)-2-(dimethylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(dimethylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(dimethylammonio)-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(dimethylammonio)-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(dimethylazaniumyl)-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(dimethylammonio)-4-keto-4-(m-toluidino)butyrate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-9-5-4-6-10(7-9)14-12(16)8-11(13(17)18)15(2)3/h4-7,11H,8H2,1-3H3,(H,14,16)(H,17,18)/t11-/m1/s1