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

Systemtic Name: (2R)-2-(2-dimethylaminoethylazaniumyl)-4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-dimethylaminoethylammonio)-4-(2-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-dimethylaminoethylammonio)-4-(2-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-dimethylaminoethylazaniumyl)-4-(2-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-dimethylaminoethylammonio)-4-keto-4-(o-toluidino)butyrate Formula: C15H23N3O3 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCN(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCN(C)C

InChI

InChI=1S/C15H23N3O3/c1-11-6-4-5-7-12(11)17-14(19)10-13(15(20)21)16-8-9-18(2)3/h4-7,13,16H,8-10H2,1-3H3,(H,17,19)(H,20,21)/t13-/m1/s1