[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C28H29FN3O+ MolecularWeight: 442.547763

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=C(NN=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=C(NN=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H28FN3O/c29-26-13-11-21(12-14-26)27-22(19-30-31-27)20-32-17-15-25(16-18-32)28(33,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,19,25,33H,15-18,20H2,(H,30,31)/p+1