(2R)-4-[(3-chlorophenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chlorophenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloroanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloroanilino)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloroanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloroanilino)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)butyrate Formula: C15H20ClN3O3 MolecularWeight: 325.7906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O3/c1-18-5-7-19(8-6-18)13(15(21)22)10-14(20)17-12-4-2-3-11(16)9-12/h2-4,9,13H,5-8,10H2,1H3,(H,17,20)(H,21,22)/t13-/m1/s1