1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium

Systemtic Name: 1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Openeye Name: 1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium CAS Name: 1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-(4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-pyridin-1-ium-4-ylpiperazin-1-ium Traditional Name: 1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Formula: C20H24FN5+2 MolecularWeight: 353.436463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H22FN5/c1-24-14-16(20(23-24)18-4-2-3-5-19(18)21)15-25-10-12-26(13-11-25)17-6-8-22-9-7-17/h2-9,14H,10-13,15H2,1H3/p+2