ethyl 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H25N3O2/c1-3-24-19(23)16-8-10-22(11-9-16)13-17-12-20-21-18(17)15-6-4-14(2)5-7-15/h4-7,12,16H,3,8-11,13H2,1-2H3,(H,20,21)/p+1