4-[4-(5-fluoranyl-4-methylsulfanyl-pyrimidin-2-yl)-4-(4-fluorophenyl)piperazin-4-ium-1-yl]butan-1-ol

Systemtic Name: 4-[4-(5-fluoranyl-4-methylsulfanyl-pyrimidin-2-yl)-4-(4-fluorophenyl)piperazin-4-ium-1-yl]butan-1-ol Openeye Name: 4-[4-(5-fluoro-4-methylsulfanyl-pyrimidin-2-yl)-4-(4-fluorophenyl)piperazin-4-ium-1-yl]butan-1-ol CAS Name: 4-[4-[5-fluoro-4-(methylthio)-2-pyrimidinyl]-4-(4-fluorophenyl)-1-piperazin-4-iumyl]-1-butanol IUPAC Name: 4-[4-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-4-(4-fluorophenyl)piperazin-4-ium-1-yl]butan-1-ol Traditional Name: 4-[4-[5-fluoro-4-(methylthio)pyrimidin-2-yl]-4-(4-fluorophenyl)piperazin-4-ium-1-yl]butan-1-ol Formula: C19H25F2N4OS+ MolecularWeight: 395.489806

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC=C1F)[N+]2(CCN(CC2)CCCCO)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=NC=C1F)[N+]2(CCN(CC2)CCCCO)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H25F2N4OS/c1-27-18-17(21)14-22-19(23-18)25(16-6-4-15(20)5-7-16)11-9-24(10-12-25)8-2-3-13-26/h4-7,14,26H,2-3,8-13H2,1H3/q+1