N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(difluoromethylthio)phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H22F2N4OS+2 MolecularWeight: 380.455286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)SC(F)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)SC(F)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H20F2N4OS/c19-18(20)26-15-6-4-14(5-7-15)22-17(25)13-23-9-11-24(12-10-23)16-3-1-2-8-21-16/h1-8,18H,9-13H2,(H,22,25)/p+2