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

Systemtic Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine Openeye Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(1-piperidin-1-iumyl)piperidine IUPAC Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-ylpiperidine Traditional Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)[NH+]4CCCCC4)OC

InChI

InChI=1S/C22H32N4O2/c1-27-19-6-7-20(21(14-19)28-2)22-17(15-23-24-22)16-25-12-8-18(9-13-25)26-10-4-3-5-11-26/h6-7,14-15,18H,3-5,8-13,16H2,1-2H3,(H,23,24)/p+1