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Substance Name: 1H-Azepinium, hexahydro-1-(beta-hydroxyphenethyl)-1-methyl-, iodide, p-chlorobenzoate (ester)
ID: CM34220000
InChIKey: WDWWWUXKLWZPFF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-N-O2.I

Molecular Weight

  • 499.8133
 
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Names and Synonyms

Synonym

  • 1-(beta-Hydroxyphenethyl)-1-methylhexahydro-1H-azepinium iodide p-chlorobenzoate (ester)

Systematic Name

  • 1H-Azepinium, hexahydro-1-(beta-hydroxyphenethyl)-1-methyl-, iodide, p-chlorobenzoate (ester)

Registry Numbers

ID Number

  • NIOSH/CM3422000

System Generated Number

  • CM34220000

Molecular Formulas

Molecular Formula

  • C22-H27-Cl-N-O2.I

Molecular Formula Fragments

  • C22-H27-Cl-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C22H27ClNO2.HI/c1-24(15-7-2-3-8-16-24)17-21(18-9-5-4-6-10-18)26-22(25)19-11-13-20(23)14-12-19;/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3;1H/q+1;/p-1

InChIKey

WDWWWUXKLWZPFF-UHFFFAOYSA-M

Smiles

[I-].C[N+]1(CC(OC(=O)c2ccc(Cl)cc2)c3ccccc3)CCCCCC1