
 CHEMBL304129

100103  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  17   1  26   1
M  END

>  <Chemical Name>
CHEMBL304129

>  <PubChem CID>
10747747

>  <Formula>
C36H56N4O4+2

>  <Molecular Weight>
608.868000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1C2=CC=CC=C2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(C4=CC=CC=C4C3=O)OCC

>  <Isomeric SMILES>
CCOC1C2=CC=CC=C2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(C4=CC=CC=C4C3=O)OCC

>  <InChI Std. ID>
InChI=1S/C36H56N4O4/c1-7-43-35-31-21-13-11-19-29(31)33(41)37(35)23-17-27-39(3,4)25-15-9-10-16-26-40(5,6)28-18-24-38-34(42)30-20-12-14-22-32(30)36(38)44-8-2/h11-14,19-22,35-36H,7-10,15-18,23-28H2,1-6H3/q+2

>  <InChI Key>
DBSCEDCAWDDZPW-UHFFFAOYSA-N

