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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(difluoromethylthio)phenyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H20F2N3O3S+ MolecularWeight: 396.431506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)SC(F)F)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)SC(F)F)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H19F2N3O3S/c19-18(20)27-14-5-3-13(4-6-14)21-16(24)12-22-7-9-23(10-8-22)17(25)15-2-1-11-26-15/h1-6,11,18H,7-10,12H2,(H,21,24)/p+1