
 CHEMBL274564

104106  0  0  0  0  0  0  0  0999 V2000
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M  CHG  4  17   1  26   1  49  -1  50  -1
M  END

>  <Chemical Name>
CHEMBL274564

>  <PubChem CID>
11828872

>  <Formula>
C40H54Br2N4O4

>  <Molecular Weight>
814.704000

>  <IUPAC Name>
[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethylpropyl]-[6-[[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O.[Br-].[Br-]

>  <Isomeric SMILES>
CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O.[Br-].[Br-]

>  <InChI Std. ID>
InChI=1S/C40H54N4O4.2BrH/c1-39(2,25-41-35(45)30-19-11-12-20-31(30)36(41)46)27-43(5,6)23-13-9-10-14-24-44(7,8)28-40(3,4)26-42-37(47)32-21-15-17-29-18-16-22-33(34(29)32)38(42)48;;/h11-12,15-22H,9-10,13-14,23-28H2,1-8H3;2*1H/q+2;;/p-2

>  <InChI Key>
KYNMWSRJPWQATB-UHFFFAOYSA-L

