
 CHEMBL338689

 95 95  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  34   1  40  -1
M  END

>  <Chemical Name>
CHEMBL338689

>  <PubChem CID>
14785981

>  <Formula>
C32H55IN2O5

>  <Molecular Weight>
674.705000

>  <IUPAC Name>
(2-heptadecyl-1,3-dioxolan-4-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate;iodide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

>  <InChI Std. ID>
InChI=1S/C32H55N2O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-37-26-30(39-31)27-38-32(36)34(28(3)35)25-29-22-20-21-24-33(29)5-2;/h20-22,24,30-31H,4-19,23,25-27H2,1-3H3;1H/q+1;/p-1

>  <InChI Key>
BMZDEKBMWVAMGY-UHFFFAOYSA-M

