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

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-2-(2-pyridylthio)ethanone Formula: C17H17ClF3N4OS+ MolecularWeight: 417.85629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C17H16ClF3N4OS/c18-13-9-12(17(19,20)21)10-23-16(13)25-7-5-24(6-8-25)15(26)11-27-14-3-1-2-4-22-14/h1-4,9-10H,5-8,11H2/p+1