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

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(3-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-(3-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=CN=CC=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN=CC=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-3-27-21(25)22(14-18-7-4-9-20(13-18)26-2)10-6-12-24(17-22)16-19-8-5-11-23-15-19/h4-5,7-9,11,13,15H,3,6,10,12,14,16-17H2,1-2H3/p+1/t22-/m0/s1