(2R)-4-[(2-methoxyphenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-methoxyphenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-methoxyanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(2-methoxyanilino)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(2-methoxyanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)-4-(o-anisidino)butyrate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(CC(=O)NC2=CC=CC=C2OC)C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=CC=C2OC)C(=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-18-7-9-19(10-8-18)13(16(21)22)11-15(20)17-12-5-3-4-6-14(12)23-2/h3-6,13H,7-11H2,1-2H3,(H,17,20)(H,21,22)/t13-/m1/s1