(2R)-2-(3-azaniumylpropylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(2-methoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(2-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(2-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-keto-4-(o-anisidino)butyrate Formula: C14H22N3O4+ MolecularWeight: 296.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C14H21N3O4/c1-21-12-6-3-2-5-10(12)17-13(18)9-11(14(19)20)16-8-4-7-15/h2-3,5-6,11,16H,4,7-9,15H2,1H3,(H,17,18)(H,19,20)/p+1/t11-/m1/s1