
 CHEMBL165814

 80 81  0  0  0  0  0  0  0  0999 V2000
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M  CHG  4   2   1   8   1  39  -1  40  -1
M  END

>  <Chemical Name>
CHEMBL165814

>  <PubChem CID>
10770827

>  <Formula>
C30H40Br2N4O4

>  <Molecular Weight>
680.482000

>  <IUPAC Name>
3-(1,3-dioxoisoindol-2-yl)propyl-[4-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]butyl]-dimethylazanium;dibromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-].[Br-]

>  <Isomeric SMILES>
C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-].[Br-]

>  <InChI Std. ID>
InChI=1S/C30H40N4O4.2BrH/c1-33(2,21-11-17-31-27(35)23-13-5-6-14-24(23)28(31)36)19-9-10-20-34(3,4)22-12-18-32-29(37)25-15-7-8-16-26(25)30(32)38;;/h5-8,13-16H,9-12,17-22H2,1-4H3;2*1H/q+2;;/p-2

>  <InChI Key>
AMHYJYYXMWOKQB-UHFFFAOYSA-L

