Ethanaminium, 2-[[(3S)-3-(acetyloxy)-1-oxohexadecyl]oxy]-N,N,N-trimethyl-, chloride
CAS Registry Number®
27742-14-9
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CAS Name
Ethanaminium, 2-[[(3S)-3-(acetyloxy)-1-oxohexadecyl]oxy]-N,N,N-trimethyl-, chlorideMolecular Formula
C23H46NO4.ClCite this Page
Ethanaminium, 2-[[(3S)-3-(acetyloxy)-1-oxohexadecyl]oxy]-N,N,N-trimethyl-, chloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=27742-14-9 (retrieved ) (CAS RN: 27742-14-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C23H46NO4.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(28-21(2)25)20-23(26)27-19-18-24(3,4)5;/h22H,6-20H2,1-5H3;1H/q+1;/p-1/t22-;/m0./s1
InChIKey
InChIKey=NJEOXMPQOCEVAI-FTBISJDPSA-M
SMILES
[C@@H](CC(OCC[N+](C)(C)C)=O)(CCCCCCCCCCCCC)OC(C)=O.[Cl-]
Canonical SMILES
[Cl-].O=C(OC(CC(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCC)C
Other Names for this Substance
- Ethanaminium, 2-[[(3S)-3-(acetyloxy)-1-oxohexadecyl]oxy]-N,N,N-trimethyl-, chloride
- Choline, chloride, 3-hydroxyhexadecanoate acetate
- Ethanaminium, 2-[[3-(acetyloxy)-1-oxohexadecyl]oxy]-N,N,N-trimethyl-, chloride, (S)-
- Hexadecanoic acid, 3-hydroxy-, acetate, ester with choline chloride
- Hexadecanoic acid, 3-hydroxy-, ester with choline chloride, acetate
Deleted or Replaced CAS Registry Numbers
10118-82-8, 24580-93-6, 24880-47-5
