
 CHEMBL8721

107109  0  0  0  0  0  0  0  0999 V2000
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M  CHG  4  18   1  27   1  50  -1  51  -1
M  END

>  <Chemical Name>
CHEMBL8721

>  <PubChem CID>
11007356

>  <Formula>
C41H56Br2N4O4

>  <Molecular Weight>
828.731000

>  <IUPAC Name>
[2,2-dimethyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]-[6-[[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethylpropyl]-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(C)(C)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>
CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(C)(C)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/C41H56N4O4.2BrH/c1-29-20-21-31-34(24-29)39(49)42(36(31)46)25-40(2,3)27-44(6,7)22-12-10-11-13-23-45(8,9)28-41(4,5)26-43-37(47)32-18-14-16-30-17-15-19-33(35(30)32)38(43)48;;/h14-21,24H,10-13,22-23,25-28H2,1-9H3;2*1H/q+2;;/p-2

>  <InChI Key>
ILMMQBBWFPQYOX-UHFFFAOYSA-L

