(2R)-2-(dimethylazaniumyl)-4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(dimethylazaniumyl)-4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(dimethylammonio)-4-(2,6-dimethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(dimethylammonio)-4-(2,6-dimethylanilino)-4-oxobutanoate IUPAC Name: (2R)-4-(2,6-dimethylanilino)-2-(dimethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-2-(dimethylammonio)-4-(2,6-dimethylanilino)-4-keto-butyrate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-9-6-5-7-10(2)13(9)15-12(17)8-11(14(18)19)16(3)4/h5-7,11H,8H2,1-4H3,(H,15,17)(H,18,19)/t11-/m1/s1