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

Systemtic Name: 4-[4-(5-fluoranylpyrimidin-2-yl)-1-(4-fluorophenyl)piperazin-1-ium-1-yl]butan-1-amine Openeye Name: 4-[1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-ium-1-yl]butan-1-amine CAS Name: 4-[1-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazin-1-iumyl]-1-butanamine IUPAC Name: 4-[1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-ium-1-yl]butan-1-amine Traditional Name: 4-[1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-ium-1-yl]butylamine Formula: C18H24F2N5+ MolecularWeight: 348.413466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24F2N5/c19-15-3-5-17(6-4-15)25(10-2-1-7-21)11-8-24(9-12-25)18-22-13-16(20)14-23-18/h3-6,13-14H,1-2,7-12,21H2/q+1