1-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole

Systemtic Name: 1-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Formula: C18H19F2N4O2S+ MolecularWeight: 393.430866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C18H18F2N4O2S/c19-14-4-3-5-15(20)18(14)27(25,26)24-10-8-22(9-11-24)13-23-12-21-16-6-1-2-7-17(16)23/h1-7,12H,8-11,13H2/p+1