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

Systemtic Name: [1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] hexadecanoate Openeye Name: [1-[(1-methylpiperidin-1-ium-1-yl)methyl]-2-(2-oxopyrrolidin-1-yl)ethyl] hexadecanoate CAS Name: hexadecanoic 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] hexadecanoate Traditional Name: palmitic acid [1-[(2-ketopyrrolidino)methyl]-2-(1-methylpiperidin-1-ium-1-yl)ethyl] ester Formula: C29H55N2O3+ MolecularWeight: 479.7586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H55N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-29(33)34-27(25-30-22-19-20-28(30)32)26-31(2)23-17-15-18-24-31/h27H,3-26H2,1-2H3/q+1