ethyl (2R)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H23N3O3/c1-2-25-20(24)16-8-5-6-10-23(16)13-15-12-21-22-19(15)18-11-14-7-3-4-9-17(14)26-18/h3-4,7,9,11-12,16H,2,5-6,8,10,13H2,1H3,(H,21,22)/p+1/t16-/m1/s1