
 CHEMBL1788193

104103  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  36   1  44  -1
M  END

>  <Chemical Name>
CHEMBL1788193

>  <PubChem CID>
54582515

>  <Formula>
C34H60ClN3O6

>  <Molecular Weight>
642.319000

>  <IUPAC Name>
[(2R)-2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C)OC.[Cl-]

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C)OC.[Cl-]

>  <InChI Std. ID>
InChI=1S/C34H59N3O6.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2;/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3;1H/t32-;/m1./s1

>  <InChI Key>
APUCCVGQZPNXIO-RYWNGCACSA-N

