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Substance Name: 1H-Azepinium, 1-(2,2-diphenyl-4-(1,3-dioxolanyl)methyl)-1-methyl-, bromide
ID: CM34050000
InChIKey: YIBMAJBPTBJRMO-UHFFFAOYSA-M

Molecular Formula

  • C23-H30-N-O2.Br

Molecular Weight

  • 432.399
 
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Names and Synonyms

Synonyms

  • 1-(2,2-Diphenyl-4-(1,3-dioxolanyl)methyl)-1-methylazepinium bromide
  • 2,2-Diphenyl-4-hexamethyleniminomethyl-1,3-dioxolane methobromide

Systematic Name

  • 1H-Azepinium, 1-(2,2-diphenyl-4-(1,3-dioxolanyl)methyl)-1-methyl-, bromide

Registry Numbers

ID Number

  • NIOSH/CM3405000

System Generated Number

  • CM34050000

Molecular Formulas

Molecular Formula

  • C23-H30-N-O2.Br

Molecular Formula Fragments

  • Br
  • C23-H30-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30NO2.BrH/c1-24(16-10-2-3-11-17-24)18-22-19-25-23(26-22,20-12-6-4-7-13-20)21-14-8-5-9-15-21;/h4-9,12-15,22H,2-3,10-11,16-19H2,1H3;1H/q+1;/p-1

InChIKey

YIBMAJBPTBJRMO-UHFFFAOYSA-M

Smiles

[Br-].C[N+]1(CC2COC(O2)(c3ccccc3)c4ccccc4)CCCCCC1