Acetylcholine 3D structure

Acetylcholine (also called O-Acetylcholine, 2-acetyloxyethyl-trimethylazanium) has the formula C7H16NO2+ and a molar mass of 146.21 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C7H16NO2+
Molar mass
146.21 g/mol
PubChem CID
187
Heavy atoms
10
Category
Neurotransmitters

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name2-acetyloxyethyl(trimethyl)azanium
SMILESCC(=O)OCC[N+](C)(C)C
PubChem CID187
Other namesO-Acetylcholine, 2-acetyloxyethyl-trimethylazanium, Choline acetate, Acetyl choline ion, Acetylcholinum

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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