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

Systemtic Name: [1-hexadecoxy-3-(3-methylimidazol-3-ium-1-yl)propan-2-yl] ethanoate iodide Openeye Name: [1-(hexadecoxymethyl)-2-(3-methylimidazol-3-ium-1-yl)ethyl] acetate iodide CAS Name: acetic acid [1-hexadecoxy-3-(3-methyl-1-imidazol-3-iumyl)propan-2-yl] ester iodide IUPAC Name: [1-hexadecoxy-3-(3-methylimidazol-3-ium-1-yl)propan-2-yl] acetate iodide Traditional Name: acetic acid [1-(cetyloxymethyl)-2-(3-methylimidazol-3-ium-1-yl)ethyl] ester iodide Formula: C25H47IN2O3 MolecularWeight: 550.55675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN1C=C[N+](=C1)C)OC(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN1C=C[N+](=C1)C)OC(=O)C.[I-]

InChI

InChI=1S/C25H47N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-22-25(30-24(2)28)21-27-19-18-26(3)23-27;/h18-19,23,25H,4-17,20-22H2,1-3H3;1H/q+1;/p-1