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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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