-ISIS-  08251614262D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   -0.4333    1.2417    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
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   -1.2958   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1708   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1708    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1708   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  2  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
 25  4  1  0  0  0  0
  5  3  2  0  0  0  0
 16 23  1  0  0  0  0
 19 15  1  0  0  0  0
 24 18  1  0  0  0  0
M  CHG  2   4   1  11  -1
M  END
>  <ID> (STL147764)
STL147764

>  <Rotatable_Bonds> (STL147764)
1

>  <logP> (STL147764)
4.852

>  <PSA> (STL147764)
53.28

>  <H_Donors> (STL147764)
1

>  <H_Acceptors> (STL147764)
1

>  <Number_of_rings> (STL147764)
4

>  <NAME> (STL147764)
2-[4-(3-methylpiperidinium-1-yl)quinazolin-2-yl]phenolate

>  <Mol_Weight> (STL147764)
319.41

>  <Mol_Formula> (STL147764)
C20H21N3O

>  <Smiles> (STL147764)
CC1CCC[NH+](C1)c1nc(nc2c1cccc2)c1ccccc1[O-]

$$$$