1-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole

Systemtic Name: 1-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 1-methyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-methyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 1-methyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]benzimidazole Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C20H24N4O2S/c1-16-7-9-17(10-8-16)27(25,26)24-13-11-23(12-14-24)15-20-21-18-5-3-4-6-19(18)22(20)2/h3-10H,11-15H2,1-2H3/p+1