
 CHEMBL124985

104104  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  37   1  43  -1
M  END

>  <Chemical Name>
CHEMBL124985

>  <PubChem CID>
14785975

>  <Formula>
C35H61IN2O5

>  <Molecular Weight>
716.786000

>  <IUPAC Name>
[4-(octadecoxymethyl)oxolan-2-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>
CCCCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

>  <InChI Std. ID>
InChI=1S/C35H61N2O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-40-28-32-26-34(41-29-32)30-42-35(39)37(31(3)38)27-33-23-20-21-24-36(33)5-2;/h20-21,23-24,32,34H,4-19,22,25-30H2,1-3H3;1H/q+1;/p-1

>  <InChI Key>
FRGQUKXKVXYYCW-UHFFFAOYSA-M

