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Substance Name: (4,beta-Dihydroxy-3-(methylthio)phenethyl)(1-methyl-3-(4-methoxyphenyl)propyl)ammonium acetate
RN: 66264-73-1
InChIKey: DXSZXNSHQYFKFQ-UHFFFAOYSA-N

Molecular Formula

  • C20-H27-N-O3-S.C2-H4-O2

Molecular Weight

  • 421.5549
 
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Names and Synonyms

Synonym

  • EINECS 266-287-1

Systematic Name

  • (4,beta-Dihydroxy-3-(methylthio)phenethyl)(1-methyl-3-(4-methoxyphenyl)propyl)ammonium acetate

Registry Numbers

CAS Registry Number

  • 66264-73-1

System Generated Number

  • 0066264731

Molecular Formulas

Molecular Formula

  • C20-H27-N-O3-S.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C20-H27-N-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27NO3S.C2H4O2/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3;1-2(3)4/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H3,(H,3,4)

InChIKey

DXSZXNSHQYFKFQ-UHFFFAOYSA-N

Smiles

CC(CCc1ccc(cc1)OC)NCC(c2ccc(c(c2)SC)O)O.CC(=O)O