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Substance Name: Ammonium, (3,3-diphenyl-1-methyl-4-oxohexyl)trimethyl-, iodide
ID: BQ27042000
InChIKey: XFVCWTMGDBQOQB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N-O.I

Molecular Weight

  • 451.385
 
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Names and Synonyms

Synonym

  • (3,3-Diphenyl-1-methyl-4-oxohexyl)trimethylammonium iodide

Systematic Name

  • Ammonium, (3,3-diphenyl-1-methyl-4-oxohexyl)trimethyl-, iodide

Registry Numbers

ID Number

  • NIOSH/BQ2704200

System Generated Number

  • BQ27042000

Molecular Formulas

Molecular Formula

  • C22-H30-N-O.I

Molecular Formula Fragments

  • C22-H30-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C22H30NO.HI/c1-6-21(24)22(17-18(2)23(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,18H,6,17H2,1-5H3;1H/q+1;/p-1

InChIKey

XFVCWTMGDBQOQB-UHFFFAOYSA-M

Smiles

[N+](C)(C)(C)[C@@H](CC(C(CC)=O)(c1ccccc1)c1ccccc1)C.[IH-]