Ethanaminium, 2-[[(3S)-3-(acetyloxy)-1-oxohexadecyl]oxy]-N,N,N-trimethyl-, chloride

CAS Registry Number®

27742-14-9

CAS Name

Ethanaminium, 2-[[(3S)-3-(acetyloxy)-1-oxohexadecyl]oxy]-N,N,N-trimethyl-, chloride

Molecular Formula

C23H46NO4.Cl

Cite 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/detail?cas_rn=27742-14-9 (retrieved 2024-11-24) (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

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Deleted or Replaced CAS Registry Numbers

10118-82-8, 24580-93-6, 24880-47-5

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