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

Systemtic Name: (2R)-4-[(4-methoxyphenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-methoxyanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-methoxyanilino)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-methoxyanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)-4-(p-anisidino)butyrate Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-18-7-9-19(10-8-18)14(16(21)22)11-15(20)17-12-3-5-13(23-2)6-4-12/h3-6,14H,7-11H2,1-2H3,(H,17,20)(H,21,22)/p+1/t14-/m1/s1