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Substance Name: 2-(4-((4-Ethoxyphenyl)methylamino)phenyl)-1-ethylbenz(cd)indolium methyl sulphate
RN: 85187-81-1
InChIKey: NWIMVKUKXLMMOZ-UHFFFAOYSA-M

Molecular Formula

  • C28-H27-N2-O.C-H3-O4-S

Molecular Weight

  • 518.631
 
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Names and Synonyms

Synonym

  • EINECS 286-169-3

Systematic Name

  • 2-(4-((4-Ethoxyphenyl)methylamino)phenyl)-1-ethylbenz(cd)indolium methyl sulphate

Registry Numbers

CAS Registry Number

  • 85187-81-1

System Generated Number

  • 0085187811

Molecular Formulas

Molecular Formula

  • C28-H27-N2-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C28-H27-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C28H27N2O.CH4O4S/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2;1-5-6(2,3)4/h6-19H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

NWIMVKUKXLMMOZ-UHFFFAOYSA-M

Smiles

CC[N+]1=C(c2cccc3c2c1ccc3)c4ccc(cc4)N(C)c5ccc(cc5)OCC.COS(=O)(=O)[O-]