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

Systemtic Name: ethyl (3S)-3-(phenylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(phenylmethyl)-1-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-2-25-20(24)21(15-18-9-4-3-5-10-18)12-8-14-23(17-21)16-19-11-6-7-13-22-19/h3-7,9-11,13H,2,8,12,14-17H2,1H3/p+1/t21-/m0/s1