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

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(4-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(4-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(4-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-keto-4-(p-toluidino)butyrate Formula: C13H20N3O3+ MolecularWeight: 266.3162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH3+]

InChI

InChI=1S/C13H19N3O3/c1-9-2-4-10(5-3-9)16-12(17)8-11(13(18)19)15-7-6-14/h2-5,11,15H,6-8,14H2,1H3,(H,16,17)(H,18,19)/p+1/t11-/m1/s1