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

Systemtic Name: ethyl (3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C14H21N2O2+ MolecularWeight: 249.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-2-18-14(17)13-6-4-8-16(11-13)10-12-5-3-7-15-9-12/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3/p+1/t13-/m0/s1