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

Systemtic Name: 1-(2-fluorophenyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C21H24FN4+ MolecularWeight: 351.440463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H23FN4/c1-16-6-8-17(9-7-16)21-18(14-23-24-21)15-25-10-12-26(13-11-25)20-5-3-2-4-19(20)22/h2-9,14H,10-13,15H2,1H3,(H,23,24)/p+1