[1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] octadecanoate

Systemtic Name: [1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] octadecanoate Openeye Name: [1-[(1-methylpiperidin-1-ium-1-yl)methyl]-2-(2-oxopyrrolidin-1-yl)ethyl] octadecanoate CAS Name: octadecanoic acid [1-(1-methyl-1-piperidin-1-iumyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] octadecanoate Traditional Name: stearic acid [1-[(2-ketopyrrolidino)methyl]-2-(1-methylpiperidin-1-ium-1-yl)ethyl] ester Formula: C31H59N2O3+ MolecularWeight: 507.81176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CN1CCCC1=O)C[N+]2(CCCCC2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CN1CCCC1=O)C[N+]2(CCCCC2)C

InChI

InChI=1S/C31H59N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-31(35)36-29(27-32-24-21-22-30(32)34)28-33(2)25-19-17-20-26-33/h29H,3-28H2,1-2H3/q+1