1-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C18H20F3N4OS+ MolecularWeight: 397.43781

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H19F3N4OS/c1-24-7-9-25(10-8-24)16(26)12-27-17-22-14(13-5-3-2-4-6-13)11-15(23-17)18(19,20)21/h2-6,11H,7-10,12H2,1H3/p+1