5,6-dimethyl-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole

Systemtic Name: 5,6-dimethyl-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-benzimidazole CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5,6-dimethylbenzimidazole IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethylbenzimidazole Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-5,6-dimethyl-benzimidazole Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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