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

Systemtic Name: (2R)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate Openeye Name: (2R)-4-(3-methoxyanilino)-4-oxo-2-piperazine-1,4-diium-1-yl-butanoate CAS Name: (2R)-4-(3-methoxyanilino)-4-oxo-2-(1-piperazine-1,4-diiumyl)butanoate IUPAC Name: (2R)-4-(3-methoxyanilino)-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(m-anisidino)-2-piperazine-1,4-diium-1-yl-butyrate Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC(C(=O)[O-])[NH+]2CC[NH2+]CC2

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CC[NH2+]CC2

InChI

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