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

Systemtic Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylmethoxy-piperidin-1-ium Openeye Name: 4-benzyloxy-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylmethoxypiperidin-1-ium IUPAC Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylmethoxypiperidin-1-ium Traditional Name: 4-benzoxy-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-28-21-8-9-22(23(14-21)29-2)24-19(15-25-26-24)16-27-12-10-20(11-13-27)30-17-18-6-4-3-5-7-18/h3-9,14-15,20H,10-13,16-17H2,1-2H3,(H,25,26)/p+1