5-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-ynyl ethanoate

Systemtic Name: 5-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-ynyl ethanoate Openeye Name: 5-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-ynyl acetate CAS Name: acetic acid 5-[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]pent-3-ynyl ester IUPAC Name: 5-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-ynyl acetate Traditional Name: acetic acid 5-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-ynyl ester Formula: C17H23N2O2+ MolecularWeight: 287.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC#CC[NH+]1CCCCC1C2=CN=CC=C2

Isomeric SMILES

CC(=O)OCCC#CC[NH+]1CCCC[C@@H]1C2=CN=CC=C2

InChI

InChI=1S/C17H22N2O2/c1-15(20)21-13-6-2-4-11-19-12-5-3-9-17(19)16-8-7-10-18-14-16/h7-8,10,14,17H,3,5-6,9,11-13H2,1H3/p+1/t17-/m1/s1