ethyl (3S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H25N3O2/c1-3-24-19(23)16-5-4-10-22(12-16)13-17-11-20-21-18(17)15-8-6-14(2)7-9-15/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H,20,21)/p+1/t16-/m0/s1