2-[bis(fluoranyl)methylsulfanyl]-1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole Openeye Name: 2-(difluoromethylsulfanyl)-1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole CAS Name: 2-(difluoromethylthio)-1-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzimidazole IUPAC Name: 2-(difluoromethylsulfanyl)-1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole Traditional Name: 2-(difluoromethylthio)-1-[(4-pyridin-1-ium-2-ylpiperazino)methyl]benzimidazole Formula: C18H20F2N5S+ MolecularWeight: 376.446706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3N=C2SC(F)F)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3N=C2SC(F)F)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H19F2N5S/c19-17(20)26-18-22-14-5-1-2-6-15(14)25(18)13-23-9-11-24(12-10-23)16-7-3-4-8-21-16/h1-8,17H,9-13H2/p+1