4-[4-(5-fluoranylpyrimidin-2-yl)-1-(4-fluorophenyl)piperazin-1-ium-1-yl]butan-1-ol

Systemtic Name: 4-[4-(5-fluoranylpyrimidin-2-yl)-1-(4-fluorophenyl)piperazin-1-ium-1-yl]butan-1-ol Openeye Name: 4-[1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-ium-1-yl]butan-1-ol CAS Name: 4-[1-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazin-1-iumyl]-1-butanol IUPAC Name: 4-[1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-ium-1-yl]butan-1-ol Traditional Name: 4-[1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-ium-1-yl]butan-1-ol Formula: C18H23F2N4O+ MolecularWeight: 349.398226

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2=NC=C(C=N2)F)(CCCCO)C3=CC=C(C=C3)F

Isomeric SMILES

C1C[N+](CCN1C2=NC=C(C=N2)F)(CCCCO)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H23F2N4O/c19-15-3-5-17(6-4-15)24(9-1-2-12-25)10-7-23(8-11-24)18-21-13-16(20)14-22-18/h3-6,13-14,25H,1-2,7-12H2/q+1