2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3)C

InChI

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