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Substance Name: 1-Ethyl-2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl)benz(cd)indolium sulphate (2:1)
RN: 85284-01-1
InChIKey: RSPKMDCFCRLHGY-UHFFFAOYSA-L

Molecular Formula

  • C27-H31-N2-O.1/2O4-S

Molecular Weight

  • 895.1718
 
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Names and Synonyms

Synonym

  • EINECS 286-629-3

Systematic Name

  • 1-Ethyl-2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl)benz(cd)indolium sulphate (2:1)

Registry Numbers

CAS Registry Number

  • 85284-01-1

System Generated Number

  • 0085284011

Molecular Formulas

Molecular Formula

  • C27-H31-N2-O.1/2O4-S

Molecular Formula Fragments

  • C27-H31-N2-O
  • COMPONENT
  • O4-S

Structure Descriptors

InChI

1S/2C27H31N2O.H2O4S/c2*1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;1-5(2,3)4/h2*6-13,16,18,30H,5,14-15,17H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

InChIKey

RSPKMDCFCRLHGY-UHFFFAOYSA-L

Smiles

CC[N+]1=C(c2cccc3c2c1ccc3)c4ccc5c(c4)C(CC(N5CCO)(C)C)C.CC[N+]1=C(c2cccc3c2c1ccc3)c4ccc5c(c4)C(CC(N5CCO)(C)C)C.[O-]S(=O)(=O)[O-]