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

Systemtic Name: (2R)-4-[(4-hydroxyphenyl)amino]-2-[3-(methylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-hydroxyanilino)-2-[3-(methylammonio)propylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-hydroxyanilino)-2-[3-(methylammonio)propylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-hydroxyanilino)-2-[3-(methylazaniumyl)propylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-hydroxyanilino)-4-keto-2-[3-(methylammonio)propylammonio]butyrate Formula: C14H22N3O4+ MolecularWeight: 296.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4/c1-15-7-2-8-16-12(14(20)21)9-13(19)17-10-3-5-11(18)6-4-10/h3-6,12,15-16,18H,2,7-9H2,1H3,(H,17,19)(H,20,21)/p+1/t12-/m1/s1