1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-benzimidazole

Systemtic Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-benzimidazole Openeye Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-benzimidazole CAS Name: 1-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5,6-dimethylbenzimidazole IUPAC Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethylbenzimidazole Traditional Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-benzimidazole Formula: C20H24FN4O2S+ MolecularWeight: 403.493563

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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=C4F

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H23FN4O2S/c1-15-11-18-19(12-16(15)2)24(13-22-18)14-23-7-9-25(10-8-23)28(26,27)20-6-4-3-5-17(20)21/h3-6,11-13H,7-10,14H2,1-2H3/p+1