
 CHEMBL1190117

118121  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   3   1  47   1
M  END

>  <Chemical Name>
CHEMBL1190117

>  <PubChem CID>
23657687

>  <Formula>
C42H65ClN6O4+2

>  <Molecular Weight>
753.470000

>  <IUPAC Name>
2-[3-[[6-[2-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]-6-oxohexyl]carbamoyl]-5-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium

>  <XlogP>
7.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC[N+](CC)(CC)CCOC1=CC(=CC(=C1)C(=O)NCCCCCC(=O)NNC2=C3CCCCC3=NC4=C2C=CC(=C4)Cl)OCC[N+](CC)(CC)CC

>  <Isomeric SMILES>
CC[N+](CC)(CC)CCOC1=CC(=CC(=C1)C(=O)NCCCCCC(=O)NNC2=C3CCCCC3=NC4=C2C=CC(=C4)Cl)OCC[N+](CC)(CC)CC

>  <InChI Std. ID>
InChI=1S/C42H63ClN6O4/c1-7-48(8-2,9-3)24-26-52-34-28-32(29-35(31-34)53-27-25-49(10-4,11-5)12-6)42(51)44-23-17-13-14-20-40(50)46-47-41-36-18-15-16-19-38(36)45-39-30-33(43)21-22-37(39)41/h21-22,28-31H,7-20,23-27H2,1-6H3,(H-2,44,45,46,47,50,51)/p+2

>  <InChI Key>
HSAIXSYFGMGWPJ-UHFFFAOYSA-P

