
 CHEMBL66185

 78 78  0  0  0  0  0  0  0  0999 V2000
    7.0640    8.1030   12.0433 C   0  0  0  0  0
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    9.9134    5.3308    1.2291 H   0  0  0  0  0
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   11.9935   10.6621   -1.3546 H   0  0  0  0  0
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M  CHG  1  27   1
M  END

>  <Chemical Name>
CHEMBL66185

>  <PubChem CID>
10053949

>  <Formula>
C26H46NO5+

>  <Molecular Weight>
452.656000

>  <IUPAC Name>
4-(4-decoxy-3,5-dimethoxybenzoyl)oxybutyl-trimethylazanium

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+](C)(C)C)OC

>  <Isomeric SMILES>
CCCCCCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+](C)(C)C)OC

>  <InChI Std. ID>
InChI=1S/C26H46NO5/c1-7-8-9-10-11-12-13-15-18-31-25-23(29-5)20-22(21-24(25)30-6)26(28)32-19-16-14-17-27(2,3)4/h20-21H,7-19H2,1-6H3/q+1

>  <InChI Key>
BSERFLATDPTWGC-UHFFFAOYSA-N

