
 CHEMBL265482

112117  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   2   1  10   1
M  END

>  <Chemical Name>
CHEMBL265482

>  <PubChem CID>
10653182

>  <Formula>
C46H60N4O2+2

>  <Molecular Weight>
701.012000

>  <IUPAC Name>
3-(1-benzyl-3-oxo-1H-isoindol-2-yl)propyl-[6-[3-(1-benzyl-3-oxo-1H-isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium

>  <XlogP>
7.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(C2=CC=CC=C2C1=O)CC3=CC=CC=C3)CCCN4C(C5=CC=CC=C5C4=O)CC6=CC=CC=C6

>  <Isomeric SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(C2=CC=CC=C2C1=O)CC3=CC=CC=C3)CCCN4C(C5=CC=CC=C5C4=O)CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C46H60N4O2/c1-49(2,33-19-29-47-43(35-37-21-9-7-10-22-37)39-25-13-15-27-41(39)45(47)51)31-17-5-6-18-32-50(3,4)34-20-30-48-44(36-38-23-11-8-12-24-38)40-26-14-16-28-42(40)46(48)52/h7-16,21-28,43-44H,5-6,17-20,29-36H2,1-4H3/q+2

>  <InChI Key>
FOISSSBONMABSW-UHFFFAOYSA-N

