3-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine

Systemtic Name: 3-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine Openeye Name: 3-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine CAS Name: 3-[[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]oxy]pyridine IUPAC Name: 3-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine Traditional Name: 3-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OC4=CN=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OC4=CN=CC=C4)OC

InChI

InChI=1S/C22H26N4O3/c1-27-18-5-6-20(21(12-18)28-2)22-16(13-24-25-22)15-26-10-7-17(8-11-26)29-19-4-3-9-23-14-19/h3-6,9,12-14,17H,7-8,10-11,15H2,1-2H3,(H,24,25)/p+1