ethyl 2-(1-dodecylpiperidin-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(1-dodecylpiperidin-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(1-dodecylpiperidin-1-ium-1-yl)acetate CAS Name: 2-(1-dodecyl-1-piperidin-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1-dodecylpiperidin-1-ium-1-yl)acetate Traditional Name: 2-(1-laurylpiperidin-1-ium-1-yl)acetic acid ethyl ester Formula: C21H42NO2+ MolecularWeight: 340.56368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CCCCC1)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CCCCC1)CC(=O)OCC

InChI

InChI=1S/C21H42NO2/c1-3-5-6-7-8-9-10-11-12-14-17-22(18-15-13-16-19-22)20-21(23)24-4-2/h3-20H2,1-2H3/q+1