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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-(2-methoxy-5-methylphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]methanesulfonamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-(2-methoxy-5-methyl-phenyl)methanesulfonamide Formula: C16H26N3O4S+ MolecularWeight: 356.46034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C

InChI

InChI=1S/C16H25N3O4S/c1-13-5-6-15(23-3)14(11-13)19(24(4,21)22)12-16(20)18-9-7-17(2)8-10-18/h5-6,11H,7-10,12H2,1-4H3/p+1