3-[[1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine

Systemtic Name: 3-[[1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine Openeye Name: 3-[[1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine CAS Name: 3-[[1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]oxymethyl]pyridine IUPAC Name: 3-[[1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine Traditional Name: 3-[[1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OCC4=CN=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OCC4=CN=CC=C4)F

InChI

InChI=1S/C22H25FN4O2/c1-28-19-4-5-20(21(23)11-19)22-17(13-25-26-22)14-27-9-6-18(7-10-27)29-15-16-3-2-8-24-12-16/h2-5,8,11-13,18H,6-7,9-10,14-15H2,1H3,(H,25,26)/p+1