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

Systemtic Name: [1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] octadecanoate iodide Openeye Name: [1-[(1-methylpiperidin-1-ium-1-yl)methyl]-2-(2-oxopyrrolidin-1-yl)ethyl] octadecanoate iodide CAS Name: octadecanoic acid [1-(1-methyl-1-piperidin-1-iumyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl] ester iodide IUPAC Name: [1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] octadecanoate iodide Traditional Name: stearic acid [1-[(2-ketopyrrolidino)methyl]-2-(1-methylpiperidin-1-ium-1-yl)ethyl] ester iodide Formula: C31H59IN2O3 MolecularWeight: 634.71623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H59N2O3.HI/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;1H/q+1;/p-1