(3S)-N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(difluoromethylsulfanyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(difluoromethylthio)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(difluoromethylsulfanyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(difluoromethylthio)phenyl]piperidin-1-ium-3-carboxamide Formula: C13H17F2N2OS+ MolecularWeight: 287.348686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NC2=CC=CC=C2SC(F)F

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NC2=CC=CC=C2SC(F)F

InChI

InChI=1S/C13H16F2N2OS/c14-13(15)19-11-6-2-1-5-10(11)17-12(18)9-4-3-7-16-8-9/h1-2,5-6,9,13,16H,3-4,7-8H2,(H,17,18)/p+1/t9-/m0/s1