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

Systemtic Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H22FN5+2 MolecularWeight: 339.409883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H20FN5/c20-17-6-4-15(5-7-17)19-16(13-22-23-19)14-24-9-11-25(12-10-24)18-3-1-2-8-21-18/h1-8,13H,9-12,14H2,(H,22,23)/p+2