N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(difluoromethylsulfanyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(difluoromethylthio)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(difluoromethylsulfanyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(difluoromethylthio)phenyl]piperidin-1-ium-4-carboxamide Formula: C13H17F2N2OS+ MolecularWeight: 287.348686

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)NC2=CC=CC=C2SC(F)F

Isomeric SMILES

C1C[NH2+]CCC1C(=O)NC2=CC=CC=C2SC(F)F

InChI

InChI=1S/C13H16F2N2OS/c14-13(15)19-11-4-2-1-3-10(11)17-12(18)9-5-7-16-8-6-9/h1-4,9,13,16H,5-8H2,(H,17,18)/p+1