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

Systemtic Name: 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4O/c1-27-20-8-2-16(3-9-20)21-17(14-23-24-21)15-25-10-12-26(13-11-25)19-6-4-18(22)5-7-19/h2-9,14H,10-13,15H2,1H3,(H,23,24)/p+1