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Substance Name: Quinolinium, 1,1'-(1,3-propanediylbis((dimethyliminio)-5,1-pentanediyl))bis(4-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, tetraiodide
RN: 197771-00-9
InChIKey: WUNAIWHBYAUUAY-UHFFFAOYSA-J

Molecular Formula

  • C53-H66-N6-S2.4-I

Molecular Weight

  • 1358.88
 
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Names and Synonyms

  • Quinolinium, 1,1'-(1,3-propanediylbis((dimethyliminio)-5,1-pentanediyl))bis(4-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, tetraiodide

Registry Numbers

CAS Registry Number

  • 197771-00-9

System Generated Number

  • 0197771009

Structure Descriptors

InChI

1S/C53H66N6S2.4HI/c1-54-48-26-13-15-28-50(48)60-52(54)40-42-30-34-56(46-24-11-9-22-44(42)46)32-17-7-19-36-58(3,4)38-21-39-59(5,6)37-20-8-18-33-57-35-31-43(45-23-10-12-25-47(45)57)41-53-55(2)49-27-14-16-29-51(49)61-53;;;;/h9-16,22-31,34-35,40-41H,7-8,17-21,32-33,36-39H2,1-6H3;4*1H/q+4;;;;/p-4

InChIKey

WUNAIWHBYAUUAY-UHFFFAOYSA-J

Smiles

[IH-].c1(c2ccccc2[n+](cc1)CCCCC[N+](C)(C)CCC[N+](CCCCC[n+]1ccc(c2c1cccc2)\C=C1/N(c2ccccc2S1)C)(C)C)\C=C1/N(C)c2c(cccc2)S1.[IH-].[IH-].[IH-]