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Substance Name: Ammonium, allyldiethyl(2-hydroxyethyl)-, bromide, 1-hydroxy-alpha-phenylcyclohexaneacetate
ID: BO37410000
InChIKey: JMDKGQGIPPPPBS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H36-N-O3.Br

Molecular Weight

  • 454.4454
 
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Names and Synonyms

Synonym

  • Allyldiethyl(2-hydroxyethyl)ammonium bromide 1-hydroxy-alpha-phenylcyclohexaneacetate

Systematic Name

  • Ammonium, allyldiethyl(2-hydroxyethyl)-, bromide, 1-hydroxy-alpha-phenylcyclohexaneacetate

Registry Numbers

ID Number

  • NIOSH/BO3741000

System Generated Number

  • BO37410000

Molecular Formulas

Molecular Formula

  • C23-H36-N-O3.Br

Molecular Formula Fragments

  • Br
  • C23-H36-N-O3
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C23H36NO3.BrH/c1-4-17-24(5-2,6-3)18-19-27-22(25)21(20-13-9-7-10-14-20)23(26)15-11-8-12-16-23;/h4,7,9-10,13-14,21,26H,1,5-6,8,11-12,15-19H2,2-3H3;1H/q+1;/p-1

InChIKey

JMDKGQGIPPPPBS-UHFFFAOYSA-M

Smiles

[Br-].CC[N+](CC)(CCOC(=O)C(c1ccccc1)C2(O)CCCCC2)CC=C