N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(difluoromethylthio)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H16F2N3O2S+ MolecularWeight: 316.346846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C13H15F2N3O2S/c14-13(15)21-10-3-1-9(2-4-10)17-12(20)8-18-6-5-16-11(19)7-18/h1-4,13H,5-8H2,(H,16,19)(H,17,20)/p+1