1-[[5-[2,4-bis(fluoranyl)phenyl]-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium

Systemtic Name: 1-[[5-[2,4-bis(fluoranyl)phenyl]-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Openeye Name: 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium CAS Name: 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-ylpiperazin-1-ium Traditional Name: 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Formula: C19H21F2N5+2 MolecularWeight: 357.400346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F2N5/c20-15-1-2-17(18(21)11-15)19-14(12-23-24-19)13-25-7-9-26(10-8-25)16-3-5-22-6-4-16/h1-6,11-12H,7-10,13H2,(H,23,24)/p+2