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Substance Name: 1-Octadecanaminium, N-(2-(((2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)ethyl)-N,N-dimethyl-, bromide (1:1)
RN: 110553-30-5
InChIKey: CNSVTGFZBDQOMP-VQSOISJUSA-M

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C32-H56-N-O3.Br

Molecular Weight

  • 582.7024
 
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Names and Synonyms

  • 1-Octadecanaminium, N-(2-(((2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)ethyl)-N,N-dimethyl-, bromide (1:1)
  • 1-Octadecanaminium, N-(2-(((2E)-3-(4-methoxyphenyl)-1-oxo-2-propenyl)oxy)ethyl)-N,N-dimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 110553-30-5

System Generated Number

  • 0110553305

Molecular Formulas

Molecular Formula

  • C32-H56-N-O3.Br

Molecular Formula Fragments

  • Br
  • C32-H56-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C32H56NO3.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-33(2,3)28-29-36-32(34)26-23-30-21-24-31(35-4)25-22-30;/h21-26H,5-20,27-29H2,1-4H3;1H/q+1;/p-1/b26-23+;

InChIKey

CNSVTGFZBDQOMP-VQSOISJUSA-M

Smiles

C(=O)(/C=C/c1ccc(cc1)OC)OCC[N+](CCCCCCCCCCCCCCCCCC)(C)C.[Br-]