
 CHEMBL269205

 92 94  0  0  0  0  0  0  0  0999 V2000
    5.6346    0.6618    0.5325 C   0  0  0  0  0
    5.3294   -0.8499    0.5180 N   0  0  0  0  0
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    8.0573   -8.4986   -1.3385 H   0  0  0  0  0
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 43 44  2  0  0  0
M  CHG  4   2   1  10   1  45  -1  46  -1
M  END

>  <Chemical Name>
CHEMBL269205

>  <PubChem CID>
44265508

>  <Formula>
C36H46Br2N4O4

>  <Molecular Weight>
758.596000

>  <IUPAC Name>
3-(1,3-dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CCCN4C(=O)C5=CC=CC=C5C4=O.[Br-].[Br-]

>  <Isomeric SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CCCN4C(=O)C5=CC=CC=C5C4=O.[Br-].[Br-]

>  <InChI Std. ID>
InChI=1S/C36H46N4O4.2BrH/c1-39(2,23-13-19-37-33(41)29-17-9-10-18-30(29)34(37)42)21-11-5-6-12-22-40(3,4)24-14-20-38-35(43)31-25-27-15-7-8-16-28(27)26-32(31)36(38)44;;/h7-10,15-18,25-26H,5-6,11-14,19-24H2,1-4H3;2*1H/q+2;;/p-2

>  <InChI Key>
BFZBURHQXJMONE-UHFFFAOYSA-L

