Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-(4-((Acetylamino)sulphonyl)butyl)-2-(2-(2-(4-chlorophenyl)-1-methyl-1H-indol-3-yl)vinyl)-5-(methoxycarbonyl)-3,3-dimethyl-3H-indolium bromide
RN: 84100-41-4
InChIKey: GURULCOTEMRHIX-UHFFFAOYSA-N

Molecular Formula

  • C35-H37-Cl-N3-O5-S.Br

Molecular Weight

  • 727.1163
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 282-121-0

Systematic Name

  • 1-(4-((Acetylamino)sulphonyl)butyl)-2-(2-(2-(4-chlorophenyl)-1-methyl-1H-indol-3-yl)vinyl)-5-(methoxycarbonyl)-3,3-dimethyl-3H-indolium bromide

Registry Numbers

CAS Registry Number

  • 84100-41-4

System Generated Number

  • 0084100414

Molecular Formulas

Molecular Formula

  • C35-H37-Cl-N3-O5-S.Br

Molecular Formula Fragments

  • Br
  • C35-H37-Cl-N3-O5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C35H36ClN3O5S.BrH/c1-23(40)37-45(42,43)21-9-8-20-39-31-18-14-25(34(41)44-5)22-29(31)35(2,3)32(39)19-17-28-27-10-6-7-11-30(27)38(4)33(28)24-12-15-26(36)16-13-24;/h6-7,10-19,22H,8-9,20-21H2,1-5H3;1H

InChIKey

GURULCOTEMRHIX-UHFFFAOYSA-N

Smiles

CC(=O)NS(=O)(=O)CCCC[N+]1=C(C(c2c1ccc(c2)C(=O)OC)(C)C)/C=C/c3c4ccccc4n(c3c5ccc(cc5)Cl)C.[Br-]