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Substance Name: Ammonium, (2-hydroxytetramethylenedi-p-phenylene)bis(trimethyl-, diiodide, benzoate
ID: BR57799400
InChIKey: BUJIXVOCOZMNMA-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H38-N2-O2.2I

Molecular Weight

  • 700.4312
 
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Names and Synonyms

Synonyms

  • (2-Hydroxytetramethylenedi-p-phenylene)bis(trimethylammonium iodide) benzoate
  • 142C48

Systematic Name

  • Ammonium, (2-hydroxytetramethylenedi-p-phenylene)bis(trimethyl-, diiodide, benzoate

Registry Numbers

ID Number

  • NIOSH/BR5779940

System Generated Number

  • BR57799400

Molecular Formulas

Molecular Formula

  • C29-H38-N2-O2.2I

Molecular Formula Fragments

  • C29-H38-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C29H38N2O2.2HI/c1-30(2,3)26-17-12-23(13-18-26)16-21-28(33-29(32)25-10-8-7-9-11-25)22-24-14-19-27(20-15-24)31(4,5)6;;/h7-15,17-20,28H,16,21-22H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

BUJIXVOCOZMNMA-UHFFFAOYSA-L

Smiles

[I-].[I-].C[N+](C)(C)c1ccc(CCC(Cc2ccc(cc2)[N+](C)(C)C)OC(=O)c3ccccc3)cc1