(2R)-4-oxidanylidene-2-(prop-2-enylazaniumyl)-4-[(2,4,6-trimethylphenyl)amino]butanoate

Systemtic Name: (2R)-4-oxidanylidene-2-(prop-2-enylazaniumyl)-4-[(2,4,6-trimethylphenyl)amino]butanoate Openeye Name: (2R)-2-(allylammonio)-4-oxo-4-(2,4,6-trimethylanilino)butanoate CAS Name: (2R)-4-oxo-2-(prop-2-enylammonio)-4-(2,4,6-trimethylanilino)butanoate IUPAC Name: (2R)-4-oxo-2-(prop-2-enylazaniumyl)-4-(2,4,6-trimethylanilino)butanoate Traditional Name: (2R)-2-(allylammonio)-4-keto-4-mesidino-butyrate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-5-6-17-13(16(20)21)9-14(19)18-15-11(3)7-10(2)8-12(15)4/h5,7-8,13,17H,1,6,9H2,2-4H3,(H,18,19)(H,20,21)/t13-/m1/s1