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Substance Name: 1-Acetylhexahydro-1H-azepinium methyl sulphate
RN: 85851-62-3
InChIKey: JRGSCKFLMIPKOP-UHFFFAOYSA-M

Molecular Formula

  • C8-H15-N-O.C-H4-O4-S

Molecular Weight

  • 251.3013
 
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Names and Synonyms

Synonym

  • EINECS 288-623-6

Systematic Name

  • 1-Acetylhexahydro-1H-azepinium methyl sulphate

Registry Numbers

CAS Registry Number

  • 85851-62-3

System Generated Number

  • 0085851623

Molecular Formulas

Molecular Formula

  • C8-H15-N-O.C-H4-O4-S

Molecular Formula Fragments

  • C-H4-O4-S
  • C8-H15-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C8H14NO.CH4O4S/c1-8(10)9-6-4-2-3-5-7-9;1-5-6(2,3)4/h6H,2-5,7H2,1H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

JRGSCKFLMIPKOP-UHFFFAOYSA-M

Smiles

S(=O)(=O)([O-])OC.[N+]1(=CCCCCC1)C(=O)C