
 CHEMBL177732

 80 82  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   2   1  10   1
M  END

>  <Chemical Name>
CHEMBL177732

>  <PubChem CID>
44340802

>  <Formula>
C28H44N4O4+2

>  <Molecular Weight>
500.684000

>  <IUPAC Name>
3-(1,3-dioxoisoindol-2-yl)propyl-[6-[3-(2,5-dioxopyrrolidin-1-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)CCC3=O

>  <Isomeric SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)CCC3=O

>  <InChI Std. ID>
InChI=1S/C28H44N4O4/c1-31(2,21-11-17-29-25(33)15-16-26(29)34)19-9-5-6-10-20-32(3,4)22-12-18-30-27(35)23-13-7-8-14-24(23)28(30)36/h7-8,13-14H,5-6,9-12,15-22H2,1-4H3/q+2

>  <InChI Key>
IPZXOCFQBXBFRR-UHFFFAOYSA-N

