[1-hexadecoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl] ethanoate iodide

Systemtic Name: [1-hexadecoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl] ethanoate iodide Openeye Name: [1-(hexadecoxymethyl)-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] acetate iodide CAS Name: acetic acid [1-hexadecoxy-3-(1-methyl-1-pyrrolidin-1-iumyl)propan-2-yl] ester iodide IUPAC Name: [1-hexadecoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl] acetate iodide Traditional Name: acetic acid [1-(cetyloxymethyl)-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl] ester iodide Formula: C26H52INO3 MolecularWeight: 553.60045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C[N+]1(CCCC1)C)OC(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C[N+]1(CCCC1)C)OC(=O)C.[I-]

InChI

InChI=1S/C26H52NO3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-29-24-26(30-25(2)28)23-27(3)20-17-18-21-27;/h26H,4-24H2,1-3H3;1H/q+1;/p-1