ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-[(3-methoxyphenyl)methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-m-anisyl-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=CC=N2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=CC=CC=N2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-3-27-21(25)22(15-18-8-6-10-20(14-18)26-2)11-7-13-24(17-22)16-19-9-4-5-12-23-19/h4-6,8-10,12,14H,3,7,11,13,15-17H2,1-2H3/p+1/t22-/m1/s1