N-(4-methylpiperazin-4-ium-1-yl)-4-(trifluoromethylsulfanyl)benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-4-(trifluoromethylsulfanyl)benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-4-(trifluoromethylsulfanyl)benzamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-4-(trifluoromethylthio)benzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-4-(trifluoromethylsulfanyl)benzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-4-(trifluoromethylthio)benzamide Formula: C13H17F3N3OS+ MolecularWeight: 320.35379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C13H16F3N3OS/c1-18-6-8-19(9-7-18)17-12(20)10-2-4-11(5-3-10)21-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,20)/p+1