[1-(1-methylazepan-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] dodecanoate iodide

Systemtic Name: [1-(1-methylazepan-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] dodecanoate iodide Openeye Name: [1-[(1-methylazepan-1-ium-1-yl)methyl]-2-(2-oxopyrrolidin-1-yl)ethyl] dodecanoate iodide CAS Name: dodecanoic acid [1-(1-methyl-1-azepan-1-iumyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl] ester iodide IUPAC Name: [1-(1-methylazepan-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] dodecanoate iodide Traditional Name: lauric acid [1-[(2-ketopyrrolidino)methyl]-2-(1-methylazepan-1-ium-1-yl)ethyl] ester iodide Formula: C26H49IN2O3 MolecularWeight: 564.58333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(CN1CCCC1=O)C[N+]2(CCCCCC2)C.[I-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(CN1CCCC1=O)C[N+]2(CCCCCC2)C.[I-]

InChI

InChI=1S/C26H49N2O3.HI/c1-3-4-5-6-7-8-9-10-13-18-26(30)31-24(22-27-19-16-17-25(27)29)23-28(2)20-14-11-12-15-21-28;/h24H,3-23H2,1-2H3;1H/q+1;/p-1