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

Systemtic Name: [1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-ium-1-yl-propan-2-yl] hexanoate iodide Openeye Name: [1-[(2-oxopyrrolidin-1-yl)methyl]-2-piperidin-1-ium-1-yl-ethyl] hexanoate iodide CAS Name: hexanoic acid [1-(2-oxo-1-pyrrolidinyl)-3-(1-piperidin-1-iumyl)propan-2-yl] ester iodide IUPAC Name: [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ium-1-ylpropan-2-yl] hexanoate iodide Traditional Name: hexanoic acid [1-[(2-ketopyrrolidino)methyl]-2-piperidin-1-ium-1-yl-ethyl] ester iodide Formula: C18H33IN2O3 MolecularWeight: 452.37069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C[NH+]1CCCCC1)CN2CCCC2=O.[I-]

Isomeric SMILES

CCCCCC(=O)OC(C[NH+]1CCCCC1)CN2CCCC2=O.[I-]

InChI

InChI=1S/C18H32N2O3.HI/c1-2-3-5-10-18(22)23-16(14-19-11-6-4-7-12-19)15-20-13-8-9-17(20)21;/h16H,2-15H2,1H3;1H