(2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(5-chloro-2-methoxy-anilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(5-chloro-2-methoxyanilino)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(5-chloro-2-methoxyanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(5-chloro-2-methoxy-anilino)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)butyrate Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(CC(=O)NC2=C(C=CC(=C2)Cl)OC)C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)[C@H](CC(=O)NC2=C(C=CC(=C2)Cl)OC)C(=O)[O-]

InChI

InChI=1S/C16H22ClN3O4/c1-19-5-7-20(8-6-19)13(16(22)23)10-15(21)18-12-9-11(17)3-4-14(12)24-2/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,21)(H,22,23)/t13-/m1/s1