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Substance Name: Ethanaminium, 2-((4-(4-hexylbenzoyl)benzoyl)oxy)-N,N,N-trimethyl-, bromide
RN: 108418-23-1
InChIKey: WJFXDNOFCVRYIV-UHFFFAOYSA-M

Molecular Formula

  • C25-H34-N-O3.Br

Molecular Weight

  • 476.452
 
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Names and Synonyms

  • Ethanaminium, 2-((4-(4-hexylbenzoyl)benzoyl)oxy)-N,N,N-trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 108418-23-1

System Generated Number

  • 0108418231

Molecular Formulas

Molecular Formula

  • C25-H34-N-O3.Br

Molecular Formula Fragments

  • Br
  • C25-H34-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H34NO3.BrH/c1-5-6-7-8-9-20-10-12-21(13-11-20)24(27)22-14-16-23(17-15-22)25(28)29-19-18-26(2,3)4;/h10-17H,5-9,18-19H2,1-4H3;1H/q+1;/p-1

InChIKey

WJFXDNOFCVRYIV-UHFFFAOYSA-M

Smiles

[N+](CCOC(c1ccc(cc1)C(c1ccc(cc1)CCCCCC)=O)=O)(C)(C)C.[BrH-]