
 CHEMBL31221

 85 86  0  0  0  0  0  0  0  0999 V2000
    3.9523    2.8819    1.7471 C   0  0  0  0  0
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M  CHG  2  12   1  22   1
M  END

>  <Chemical Name>
CHEMBL31221

>  <PubChem CID>
44279242

>  <Formula>
C27H50N4O4+2

>  <Molecular Weight>
494.721000

>  <IUPAC Name>
7-[dimethyl-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propyl]azaniumyl]heptyl-dimethyl-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propyl]azanium

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CC(=O)N(C1=O)CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)CC(C2=O)C

>  <Isomeric SMILES>
CC1CC(=O)N(C1=O)CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)CC(C2=O)C

>  <InChI Std. ID>
InChI=1S/C27H50N4O4/c1-22-20-24(32)28(26(22)34)14-12-18-30(3,4)16-10-8-7-9-11-17-31(5,6)19-13-15-29-25(33)21-23(2)27(29)35/h22-23H,7-21H2,1-6H3/q+2

>  <InChI Key>
HDSFEZNHZZFGJU-UHFFFAOYSA-N

