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

Systemtic Name: [1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] octanoate iodide Openeye Name: [1-[(1-methylpiperidin-1-ium-1-yl)methyl]-2-(2-oxopyrrolidin-1-yl)ethyl] octanoate iodide CAS Name: octanoic 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] octanoate iodide Traditional Name: caprylic acid [1-[(2-ketopyrrolidino)methyl]-2-(1-methylpiperidin-1-ium-1-yl)ethyl] ester iodide Formula: C21H39IN2O3 MolecularWeight: 494.45043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39N2O3.HI/c1-3-4-5-6-8-13-21(25)26-19(17-22-14-11-12-20(22)24)18-23(2)15-9-7-10-16-23;/h19H,3-18H2,1-2H3;1H/q+1;/p-1