
 CHEMBL154459

 92 93  0  0  0  0  0  0  0  0999 V2000
   11.6708    7.2536   16.1868 C   0  0  0  0  0
   12.4770    6.8432   14.9652 C   0  0  0  0  0
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   13.6299    9.6735    3.9475 H   0  0  0  0  0
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   13.9110    7.1183    2.2789 H   0  0  0  0  0
   15.2902    8.0080    2.9201 H   0  0  0  0  0
   14.4090   10.0916    1.7281 H   0  0  0  0  0
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   18.0841   13.0868   -1.9406 H   0  0  0  0  0
   19.8446    9.2722   -1.0818 H   0  0  0  0  0
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   22.7406   12.7159   -2.5507 H   0  0  0  0  0
   23.3372   11.2874   -3.3554 H   0  0  0  0  0
   24.2742    9.3770   -2.0477 H   0  0  0  0  0
   25.3913    8.7221    0.0866 H   0  0  0  0  0
   23.9121   12.1166    2.0302 H   0  0  0  0  0
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   16.4202   14.3530   -2.1641 H   0  0  0  0  0
   16.3752   14.2284   -0.3916 H   0  0  0  0  0
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   15.4931   12.4901   -3.6003 H   0  0  0  0  0
   13.9183   12.9458   -2.9349 H   0  0  0  0  0
   14.4383   11.2554   -2.9049 H   0  0  0  0  0
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M  CHG  1  29   1
M  END

>  <Chemical Name>
CHEMBL154459

>  <PubChem CID>
10484537

>  <Formula>
C34H53N2O3+

>  <Molecular Weight>
537.809000

>  <IUPAC Name>
N-acetyl-3-tert-butyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-tetradecoxybenzamide

>  <XlogP>
10.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=[N+](C=C2)C)C(=O)C)C(C)(C)C

>  <Isomeric SMILES>
CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=[N+](C=C2)C)C(=O)C)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C34H53N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-39-32-20-19-30(26-31(32)34(3,4)5)33(38)36(28(2)37)27-29-21-23-35(6)24-22-29/h19-24,26H,7-18,25,27H2,1-6H3/q+1

>  <InChI Key>
BJZNXISSMBJDBJ-UHFFFAOYSA-N

