N-(5-chloranyl-2-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]methanesulfonamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]methanesulfonamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butyl]methanesulfonamide CAS Name: N-(5-chloro-2-methylphenyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutyl]methanesulfonamide IUPAC Name: N-(5-chloro-2-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]methanesulfonamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-N-[4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyl]methanesulfonamide Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C

InChI

InChI=1S/C17H26ClN3O3S/c1-14-6-7-15(18)13-16(14)21(25(3,23)24)8-4-5-17(22)20-11-9-19(2)10-12-20/h6-7,13H,4-5,8-12H2,1-3H3/p+1