1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-benzimidazole

Systemtic Name: 1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-benzimidazole Openeye Name: 1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-benzimidazole CAS Name: 1-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5,6-dimethylbenzimidazole IUPAC Name: 1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethylbenzimidazole Traditional Name: 1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-benzimidazole Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C=NC4=C3C=C(C(=C4)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C=NC4=C3C=C(C(=C4)C)C)C

InChI

InChI=1S/C22H28N4O2S/c1-16-5-6-20(11-17(16)2)29(27,28)26-9-7-24(8-10-26)15-25-14-23-21-12-18(3)19(4)13-22(21)25/h5-6,11-14H,7-10,15H2,1-4H3/p+1