N-(3-chloranyl-4-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butanamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyramide Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)N2CC[NH+](CC2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)N2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C16H22ClN3O2/c1-12-3-4-13(11-14(12)17)18-15(21)5-6-16(22)20-9-7-19(2)8-10-20/h3-4,11H,5-10H2,1-2H3,(H,18,21)/p+1