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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-(difluoromethylthio)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(difluoromethylthio)phenyl]acetamide Formula: C15H21F2N2OS+ MolecularWeight: 315.401846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C15H20F2N2OS/c16-15(17)21-13-7-5-12(6-8-13)18-14(20)11-19-9-3-1-2-4-10-19/h5-8,15H,1-4,9-11H2,(H,18,20)/p+1