[1,1,1-tris(fluoranyl)-3-piperidin-1-ium-1-yl-propan-2-yl] carbamimidothioate bromide

Systemtic Name: [1,1,1-tris(fluoranyl)-3-piperidin-1-ium-1-yl-propan-2-yl] carbamimidothioate bromide Openeye Name: 2-[2,2,2-trifluoro-1-(piperidin-1-ium-1-ylmethyl)ethyl]isothiourea bromide CAS Name: carbamimidothioic acid [1,1,1-trifluoro-3-(1-piperidin-1-iumyl)propan-2-yl] ester bromide IUPAC Name: (1,1,1-trifluoro-3-piperidin-1-ium-1-ylpropan-2-yl) carbamimidothioate bromide Traditional Name: 2-[2,2,2-trifluoro-1-(piperidin-1-ium-1-ylmethyl)ethyl]isothiourea bromide Formula: C9H17BrF3N3S MolecularWeight: 336.21559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C(F)(F)F)SC(=N)N.[Br-]

Isomeric SMILES

C1CC[NH+](CC1)CC(C(F)(F)F)SC(=N)N.[Br-]

InChI

InChI=1S/C9H16F3N3S.BrH/c10-9(11,12)7(16-8(13)14)6-15-4-2-1-3-5-15;/h7H,1-6H2,(H3,13,14);1H