2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazole Formula: C18H20FN4O2S+ MolecularWeight: 375.440403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C18H19FN4O2S/c19-14-5-1-4-8-17(14)26(24,25)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)/p+1