1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperazine-1,4-diium Formula: C15H21FN4+2 MolecularWeight: 276.352443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H19FN4/c1-19-6-8-20(9-7-19)11-13-10-17-18-15(13)12-2-4-14(16)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,17,18)/p+2