ethyl (3S)-3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(3-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-phenoxyethyl)-1-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-phenoxyethyl)-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)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN=CC=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-2-26-21(25)22(12-15-27-20-9-4-3-5-10-20)11-7-14-24(18-22)17-19-8-6-13-23-16-19/h3-6,8-10,13,16H,2,7,11-12,14-15,17-18H2,1H3/p+1/t22-/m0/s1