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

Systemtic Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)F

InChI

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