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Substance Name: Ammonium, (2-hydroxyethyl)trimethyl-, iodide, p-bromomethylbenzoate
RN: 54399-04-1
InChIKey: ZSHJZRPVBKCWPJ-UHFFFAOYSA-M

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H19-Br-N-O2.I

Molecular Weight

  • 428.102
 
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Names and Synonyms

Synonyms

  • (2-Hydroxyethyl)trimethylammonium iodide p-bromomethylbenzoate
  • Ethanaminium, 2-((4-(bromomethyl)benzoyl)oxy)-N,N,N-trimethyl-, iodide
  • NSC 176032
  • p-Bromomethylbenzoyl choline iodide
  • p-Bromomethylbenzoylcholine iodide

Systematic Names

  • Ammonium, (2-hydroxyethyl)trimethyl-, iodide, p-bromomethylbenzoate
  • Ethanaminium, 2-((4-(bromomethyl)benzoyl)oxy)-N,N,N-trimethyl-, iodide (9CI)

Registry Numbers

CAS Registry Number

  • 54399-04-1

System Generated Number

  • 0054399041

Molecular Formulas

Molecular Formula

  • C13-H19-Br-N-O2.I

Molecular Formula Fragments

  • C13-H19-Br-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C13H19BrNO2.HI/c1-15(2,3)8-9-17-13(16)12-6-4-11(10-14)5-7-12;/h4-7H,8-10H2,1-3H3;1H/q+1;/p-1

InChIKey

ZSHJZRPVBKCWPJ-UHFFFAOYSA-M

Smiles

c1(ccc(CBr)cc1)C(OCC[N+](C)(C)C)=O.[IH-]