1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium Formula: C22H26FN4+ MolecularWeight: 365.467043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4/c1-16-7-8-18(13-17(16)2)22-19(14-24-25-22)15-26-9-11-27(12-10-26)21-6-4-3-5-20(21)23/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25)/p+1