2-tert-butylsulfanyl-1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-tert-butylsulfanyl-1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-tert-butylsulfanyl-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(tert-butylthio)-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 2-tert-butylsulfanyl-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(tert-butylthio)-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethanone Formula: C16H22ClF3N3OS+ MolecularWeight: 396.87859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)SCC(=O)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C16H21ClF3N3OS/c1-15(2,3)25-10-13(24)22-4-6-23(7-5-22)14-12(17)8-11(9-21-14)16(18,19)20/h8-9H,4-7,10H2,1-3H3/p+1