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

Systemtic Name: [1-(1-methylpiperidin-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] hexanoate iodide Openeye Name: [1-[(1-methylpiperidin-1-ium-1-yl)methyl]-2-(2-oxopyrrolidin-1-yl)ethyl] hexanoate iodide CAS Name: hexanoic 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] hexanoate iodide Traditional Name: hexanoic acid [1-[(2-ketopyrrolidino)methyl]-2-(1-methylpiperidin-1-ium-1-yl)ethyl] ester iodide Formula: C19H35IN2O3 MolecularWeight: 466.39727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H35N2O3.HI/c1-3-4-6-11-19(23)24-17(15-20-12-9-10-18(20)22)16-21(2)13-7-5-8-14-21;/h17H,3-16H2,1-2H3;1H/q+1;/p-1