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Substance Name: Quinolinium, 1,1'-(1,3-propanediylbis((dimethyliminio)-4,1-butanediyl))bis(4-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, tetraiodide
RN: 197770-98-2
InChIKey: MLGIJHZVIJKBKN-UHFFFAOYSA-J

Molecular Formula

  • C51-H62-N6-S2.4I

Molecular Weight

  • 1330.82
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 197770-98-2

System Generated Number

  • 0197770982

Molecular Formulas

Molecular Formula

  • C51-H62-N6-S2.4I

Molecular Formula Fragments

  • C51-H62-N6-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C51H62N6S2.4HI/c1-52-46-24-11-13-26-48(46)58-50(52)38-40-28-32-54(44-22-9-7-20-42(40)44)30-15-17-34-56(3,4)36-19-37-57(5,6)35-18-16-31-55-33-29-41(43-21-8-10-23-45(43)55)39-51-53(2)47-25-12-14-27-49(47)59-51;;;;/h7-14,20-29,32-33,38-39H,15-19,30-31,34-37H2,1-6H3;4*1H/q+4;;;;/p-4

InChIKey

MLGIJHZVIJKBKN-UHFFFAOYSA-J

Smiles

c1(\C=C2/N(c3c(S2)cccc3)C)cc[n+](CCCC[N+](CCC[N+](CCCC[n+]2ccc(\C=C3/N(c4c(cccc4)S3)C)c3c2cccc3)(C)C)(C)C)c2c1cccc2.[IH-].[IH-].[IH-].[IH-]