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

Systemtic Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-27-21-9-5-6-17(14-21)22-18(15-24-12-10-20(26)11-13-24)16-25(23-22)19-7-3-2-4-8-19/h2-9,14,16,20,26H,10-13,15H2,1H3/p+1