2-[4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C18H20FN6+ MolecularWeight: 339.390003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3F)C4=NC=CC=N4

InChI

InChI=1S/C18H19FN6/c19-16-5-2-1-4-15(16)17-14(12-22-23-17)13-24-8-10-25(11-9-24)18-20-6-3-7-21-18/h1-7,12H,8-11,13H2,(H,22,23)/p+1