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

Systemtic Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-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)CN3C=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C=NC4=CC=CC=C43)C

InChI

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