2-(4-methylphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(p-tolylsulfanyl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(p-tolylthio)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethanone Formula: C19H21F3N3OS+ MolecularWeight: 396.44975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3OS/c1-14-2-5-16(6-3-14)27-13-18(26)25-10-8-24(9-11-25)17-7-4-15(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3/p+1