3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 3-methyl-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 3-methyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C19H25N3O2S/c1-15-5-4-6-18(13-15)25(23,24)20-19-8-7-17(14-16(19)2)22-11-9-21(3)10-12-22/h4-8,13-14,20H,9-12H2,1-3H3/p+1