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Substance Name: 1H-Benz(de)isoquinoline-2(3H)-propanaminium, N,N'-(methylenebis(4,1-phenyleneimino(2-oxo-2,1-ethanediyl)))bis(N,N-dimethyl-1,3-dioxo-, dichloride
RN: 109775-39-5
InChIKey: POFUFZYIZNJOIL-UHFFFAOYSA-N

Molecular Formula

  • C51-H52-N6-O6.2Cl

Molecular Weight

  • 915.9138
 
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Names and Synonyms

  • 1H-Benz(de)isoquinoline-2(3H)-propanaminium, N,N'-(methylenebis(4,1-phenyleneimino(2-oxo-2,1-ethanediyl)))bis(N,N-dimethyl-1,3-dioxo-, dichloride

Registry Numbers

CAS Registry Number

  • 109775-39-5

System Generated Number

  • 0109775395

Molecular Formulas

Molecular Formula

  • C51-H52-N6-O6.2Cl

Molecular Formula Fragments

  • C51-H52-N6-O6
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C51H50N6O6.2ClH/c1-56(2,29-9-27-54-48(60)40-15-5-11-36-12-6-16-41(46(36)40)49(54)61)32-44(58)52-38-23-19-34(20-24-38)31-35-21-25-39(26-22-35)53-45(59)33-57(3,4)30-10-28-55-50(62)42-17-7-13-37-14-8-18-43(47(37)42)51(55)63;;/h5-8,11-26H,9-10,27-33H2,1-4H3;2*1H

InChIKey

POFUFZYIZNJOIL-UHFFFAOYSA-N

Smiles

[Cl-].[Cl-].C[N+](C)(CCCN1C(=O)c2cccc3cccc(C1=O)c23)CC(=O)Nc4ccc(Cc5ccc(NC(=O)C[N+](C)(C)CCCN6C(=O)c7cccc8cccc(C6=O)c78)cc5)cc4