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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[4-(difluoromethylthio)phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(difluoromethylthio)phenyl]acetamide Formula: C15H20F2N3O2S+ MolecularWeight: 344.400006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C15H19F2N3O2S/c1-11(21)20-8-6-19(7-9-20)10-14(22)18-12-2-4-13(5-3-12)23-15(16)17/h2-5,15H,6-10H2,1H3,(H,18,22)/p+1