4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol CAS Name: 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Formula: C21H22ClFN3O+ MolecularWeight: 386.870283

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CC3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CC3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21ClFN3O/c22-18-5-3-17(4-6-18)21(27)9-11-26(12-10-21)14-16-13-24-25-20(16)15-1-7-19(23)8-2-15/h1-8,13,27H,9-12,14H2,(H,24,25)/p+1