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

Systemtic Name: (2R)-4-[(4-methoxyphenyl)amino]-2-[3-(methylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-methoxyanilino)-2-[3-(methylammonio)propylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-methoxyanilino)-2-[3-(methylammonio)propylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-methoxyanilino)-2-[3-(methylazaniumyl)propylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-keto-2-[3-(methylammonio)propylammonio]-4-(p-anisidino)butyrate Formula: C15H24N3O4+ MolecularWeight: 310.36876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)OC)C(=O)[O-]

Isomeric SMILES

C[NH2+]CCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)OC)C(=O)[O-]

InChI

InChI=1S/C15H23N3O4/c1-16-8-3-9-17-13(15(20)21)10-14(19)18-11-4-6-12(22-2)7-5-11/h4-7,13,16-17H,3,8-10H2,1-2H3,(H,18,19)(H,20,21)/p+1/t13-/m1/s1