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

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-2-(phenylthio)ethanone Formula: C18H18ClF3N3OS+ MolecularWeight: 416.86823

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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=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H17ClF3N3OS/c19-15-10-13(18(20,21)22)11-23-17(15)25-8-6-24(7-9-25)16(26)12-27-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2/p+1