1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluoranylphenoxy)piperidin-1-ium

Systemtic Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluoranylphenoxy)piperidin-1-ium Openeye Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenoxy)piperidin-1-ium CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenoxy)piperidin-1-ium IUPAC Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenoxy)piperidin-1-ium Traditional Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenoxy)piperidin-1-ium Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OC4=CC=CC=C4F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OC4=CC=CC=C4F)OC

InChI

InChI=1S/C23H26FN3O3/c1-28-18-7-8-19(22(13-18)29-2)23-16(14-25-26-23)15-27-11-9-17(10-12-27)30-21-6-4-3-5-20(21)24/h3-8,13-14,17H,9-12,15H2,1-2H3,(H,25,26)/p+1