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

Systemtic Name: methyl 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4/c1-24-15-4-5-16(17(10-15)25-2)18-14(11-20-21-18)12-22-8-6-13(7-9-22)19(23)26-3/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,20,21)/p+1