3-[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine

Systemtic Name: 3-[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine Openeye Name: 3-[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine CAS Name: 3-[[1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]oxy]pyridine IUPAC Name: 3-[1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine Traditional Name: 3-[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxypyridine Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)OC4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)OC4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-32-25-10-5-7-21(17-25)27-22(20-31(29-27)23-8-3-2-4-9-23)19-30-15-12-24(13-16-30)33-26-11-6-14-28-18-26/h2-11,14,17-18,20,24H,12-13,15-16,19H2,1H3/p+1