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Substance Name: Benz(cd)indolium, 1-ethyl-2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl)-, acetate (1:1)
RN: 72639-27-1
InChIKey: GSWDAOPPXCDXHZ-UHFFFAOYSA-M

Molecular Formula

  • C27-H31-N2-O.C2-H3-O2

Molecular Weight

  • 458.599
 
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Names and Synonyms

Synonyms

  • 1-Ethyl-2-(1-(2-hydroxyethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl)benz(c,d)indolium acetate
  • EINECS 276-749-4

Systematic Names

  • 1-Ethyl-2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl)benz(cd)indolium acetate
  • Benz(cd)indolium, 1-ethyl-2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl)-, acetate (1:1)
  • Benz(cd)indolium, 1-ethyl-2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl)-, acetate (salt)

Registry Numbers

CAS Registry Number

  • 72639-27-1

System Generated Number

  • 0072639271

Molecular Formulas

Molecular Formula

  • C27-H31-N2-O.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C27-H31-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C27H31N2O.C2H4O2/c1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;1-2(3)4/h6-13,16,18,30H,5,14-15,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1

InChIKey

GSWDAOPPXCDXHZ-UHFFFAOYSA-M

Smiles

[N+]=1(c2cccc3cccc(C1c1cc4[C@@H](CC(N(c4cc1)CCO)(C)C)C)c23)CC.C(C)(=O)[O-]