[1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-ium-1-yl-propan-2-yl] hexadecanoate

Systemtic Name: [1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-ium-1-yl-propan-2-yl] hexadecanoate Openeye Name: [1-[(2-oxopyrrolidin-1-yl)methyl]-2-piperidin-1-ium-1-yl-ethyl] hexadecanoate CAS Name: hexadecanoic acid [1-(2-oxo-1-pyrrolidinyl)-3-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ium-1-ylpropan-2-yl] hexadecanoate Traditional Name: palmitic acid [1-[(2-ketopyrrolidino)methyl]-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C28H53N2O3+ MolecularWeight: 465.73202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C[NH+]1CCCCC1)CN2CCCC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C[NH+]1CCCCC1)CN2CCCC2=O

InChI

InChI=1S/C28H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-28(32)33-26(24-29-21-16-14-17-22-29)25-30-23-18-19-27(30)31/h26H,2-25H2,1H3/p+1