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The crystal structures of acetylthiolcholine bromide and propionylthiolcholine iodide were elucidated. Acetylthiolcholine was found to be essentially isosteric with acetylselenolcholine, while the conformation of these compounds was quite different from that of acetylcholine. The importance of conformation and electron distribution in the biological actions of choline esters is discussed.

ACETYLCHOLINE AND ITS THIOLESTER AND SELENOLESTER ANALOGS: CONFORMATION, ELECTRON DISTRIBUTION, AND BIOLOGICAL ACTIVITY