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Substance Name: (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate
RN: 549-64-4
InChIKey: YMRKKGLHSINGMI-UETGHTDLSA-N

Molecular Formula

  • C20-H24-N2-O2.C9-H8-O2

Molecular Weight

  • 472.5818
 
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Names and Synonyms

Synonyms

  • 2-Propenoic acid, 3-phenyl-, compd with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1)
  • EINECS 208-974-0

Systematic Names

  • (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate
  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, mono(3-phenyl-2-propenoate) (salt)

Registry Numbers

CAS Registry Number

  • 549-64-4

System Generated Number

  • 0000549644

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C9-H8-O2

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C9-H8-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.C9H8O2/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;10-9(11)7-6-8-4-2-1-3-5-8/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-7H,(H,10,11)/b;7-6+

InChIKey

YMRKKGLHSINGMI-UETGHTDLSA-N

Smiles

COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O.c1ccc(cc1)/C=C/C(=O)O