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Substance Name: (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide
RN: 84604-79-5
InChIKey: KDVPCCLIBMLEJG-UHFFFAOYSA-N

Molecular Formula

  • C21-H28-N-O3.Br

Molecular Weight

  • 422.3602
 
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Names and Synonyms

Synonym

  • EINECS 283-362-4

Systematic Name

  • (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide

Registry Numbers

CAS Registry Number

  • 84604-79-5

System Generated Number

  • 0084604795

Molecular Formulas

Molecular Formula

  • C21-H28-N-O3.Br

Molecular Formula Fragments

  • Br
  • C21-H28-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO3.BrH/c1-4-22(5-2,6-3)14-15-25-18-12-13-19(20(23)16-18)21(24)17-10-8-7-9-11-17;/h7-13,16H,4-6,14-15H2,1-3H3;1H

InChIKey

KDVPCCLIBMLEJG-UHFFFAOYSA-N

Smiles

CC[N+](CC)(CC)CCOc1ccc(c(c1)O)C(=O)c2ccccc2.[Br-]