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Substance Name: Ammonium, (beta-hydroxyphenethyl)triethyl-, iodide, 3,4,5-trimethoxybenzoate (ester)
ID: BR15744000
InChIKey: DIJRNGVOSDHOIZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-N-O5.I

Molecular Weight

  • 543.4346
 
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Names and Synonyms

Synonym

  • (beta-Hydroxyphenethyl)triethylammonium iodide 3,4,5-trimethoxybenzoate (ester)

Systematic Name

  • Ammonium, (beta-hydroxyphenethyl)triethyl-, iodide, 3,4,5-trimethoxybenzoate (ester)

Registry Numbers

ID Number

  • NIOSH/BR1574400

System Generated Number

  • BR15744000

Molecular Formulas

Molecular Formula

  • C24-H34-N-O5.I

Molecular Formula Fragments

  • C24-H34-N-O5
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C24H34NO5.HI/c1-7-25(8-2,9-3)17-22(18-13-11-10-12-14-18)30-24(26)19-15-20(27-4)23(29-6)21(16-19)28-5;/h10-16,22H,7-9,17H2,1-6H3;1H/q+1;/p-1

InChIKey

DIJRNGVOSDHOIZ-UHFFFAOYSA-M

Smiles

[I-].CC[N+](CC)(CC)CC(OC(=O)c1cc(OC)c(OC)c(OC)c1)c2ccccc2