Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-((3-Allyl-5-((1-methyl-1H-quinolin-4-ylidene)ethylidene)-4-oxothiazolidin-2-ylidene)methyl)-3-ethyl-5-phenylbenzoxazolium bromide
RN: 97552-56-2
InChIKey: DLYYPSYKXHVQKG-JDSKIYENSA-M

Molecular Formula

  • C34-H30-N3-O2-S.Br

Molecular Weight

  • 624.6
 
* 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 307-109-5

Systematic Name

  • 2-((3-Allyl-5-((1-methyl-1H-quinolin-4-ylidene)ethylidene)-4-oxothiazolidin-2-ylidene)methyl)-3-ethyl-5-phenylbenzoxazolium bromide

Registry Numbers

CAS Registry Number

  • 97552-56-2

System Generated Number

  • 0097552562

Molecular Formulas

Molecular Formula

  • C34-H30-N3-O2-S.Br

Molecular Formula Fragments

  • Br
  • C34-H30-N3-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H30N3O2S.BrH/c1-4-20-37-33(40-31(34(37)38)18-16-25-19-21-35(3)28-14-10-9-13-27(25)28)23-32-36(5-2)29-22-26(15-17-30(29)39-32)24-11-7-6-8-12-24;/h4,6-19,21-23H,1,5,20H2,2-3H3;1H/q+1;/p-1/b25-16+,31-18+;

InChIKey

DLYYPSYKXHVQKG-JDSKIYENSA-M

Smiles

o1c([n+](c2c1ccc(c2)c1ccccc1)CC)\C=c1/sc(\c(n1CC=C)=O)=C/C=C1\C=CN(c2ccccc12)C.[BrH-]