(2R)-4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate Openeye Name: (2R)-2-(allylammonio)-4-(2,4-dimethylanilino)-4-oxo-butanoate CAS Name: (2R)-4-(2,4-dimethylanilino)-4-oxo-2-(prop-2-enylammonio)butanoate IUPAC Name: (2R)-4-(2,4-dimethylanilino)-4-oxo-2-(prop-2-enylazaniumyl)butanoate Traditional Name: (2R)-2-(allylammonio)-4-(2,4-dimethylanilino)-4-keto-butyrate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC=C)C

InChI

InChI=1S/C15H20N2O3/c1-4-7-16-13(15(19)20)9-14(18)17-12-6-5-10(2)8-11(12)3/h4-6,8,13,16H,1,7,9H2,2-3H3,(H,17,18)(H,19,20)/t13-/m1/s1