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Substance Name: Ammonium, diethyl(beta-hydroxyphenethyl)(2-propynyl)-, bromide, benzoate (ester)
ID: BP76589000
InChIKey: LCOAZXRPNHDHIY-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N-O2.Br

Molecular Weight

  • 416.3564
 
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Names and Synonyms

Synonym

  • Diethyl(beta-hydroxyphenethyl)(2-propynyl)ammonium bromide benzoate (ester)

Systematic Name

  • Ammonium, diethyl(beta-hydroxyphenethyl)(2-propynyl)-, bromide, benzoate (ester)

Registry Numbers

ID Number

  • NIOSH/BP7658900

System Generated Number

  • BP76589000

Molecular Formulas

Molecular Formula

  • C22-H26-N-O2.Br

Molecular Formula Fragments

  • Br
  • C22-H26-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26NO2.BrH/c1-4-17-23(5-2,6-3)18-21(19-13-9-7-10-14-19)25-22(24)20-15-11-8-12-16-20;/h1,7-16,21H,5-6,17-18H2,2-3H3;1H/q+1;/p-1

InChIKey

LCOAZXRPNHDHIY-UHFFFAOYSA-M

Smiles

[Br-].CC[N+](CC)(CC#C)CC(OC(=O)c1ccccc1)c2ccccc2