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

Systemtic Name: [1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-ium-1-yl-propan-2-yl] hexadecanoate chloride Openeye Name: [1-[(2-oxopyrrolidin-1-yl)methyl]-2-piperidin-1-ium-1-yl-ethyl] hexadecanoate chloride CAS Name: hexadecanoic acid [1-(2-oxo-1-pyrrolidinyl)-3-(1-piperidin-1-iumyl)propan-2-yl] ester chloride IUPAC Name: [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ium-1-ylpropan-2-yl] hexadecanoate chloride Traditional Name: palmitic acid [1-[(2-ketopyrrolidino)methyl]-2-piperidin-1-ium-1-yl-ethyl] ester chloride Formula: C28H53ClN2O3 MolecularWeight: 501.18502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H52N2O3.ClH/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;1H