(2R)-4-[(3-hydroxyphenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-hydroxyphenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-hydroxyanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(3-hydroxyanilino)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(3-hydroxyanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(3-hydroxyanilino)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CC(=O)NC2=CC(=CC=C2)O)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CC(=O)NC2=CC(=CC=C2)O)C(=O)[O-]

InChI

InChI=1S/C15H21N3O4/c1-17-5-7-18(8-6-17)13(15(21)22)10-14(20)16-11-3-2-4-12(19)9-11/h2-4,9,13,19H,5-8,10H2,1H3,(H,16,20)(H,21,22)/p+1/t13-/m1/s1