Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium nicotinate
RN: 94107-85-4
InChIKey: JLKLNKWCCKPIOP-UHFFFAOYSA-N

Molecular Formula

  • C20-H24-N2-O2.C6-H5-N-O2

Molecular Weight

  • 447.5321
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 302-321-4

Systematic Name

  • (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium nicotinate

Registry Numbers

CAS Registry Number

  • 94107-85-4

System Generated Number

  • 0094107854

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C6-H5-N-O2

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.C6H5NO2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-6(9)5-2-1-3-7-4-5/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4H,(H,8,9)

InChIKey

JLKLNKWCCKPIOP-UHFFFAOYSA-N

Smiles

N12C(C(c3c4c([n+]cc3)ccc(c4)OC)O)CC(C(C1)C=C)CC2.C(=O)(c1cnccc1)[O-]