
 CHEMBL593620

 38 38  0  0  0  0  0  0  0  0999 V2000
    0.2039   -0.3088    0.0214 C   0  0  0  0  0
    1.7015   -0.2368    0.3303 C   0  0  0  0  0
    2.5047   -1.5538    0.1100 C   0  0  0  0  0
    2.8750   -1.7852   -1.2716 O   0  0  0  0  0
    3.2213   -0.6561   -2.0874 C   0  0  0  0  0
    2.3540    0.5715   -1.7931 C   0  0  0  0  0
    2.3216    0.8412   -0.3960 O   0  0  0  0  0
    4.7224   -0.2768   -2.0451 C   0  0  0  0  0
    5.7043   -1.3304   -2.6453 N   0  0  0  0  0
    5.3985   -1.6213   -4.1073 C   0  0  0  0  0
    7.1163   -0.7442   -2.5528 C   0  0  0  0  0
    5.6841   -2.6360   -1.8641 C   0  0  0  0  0
    3.7627   -1.5339    0.9939 C   0  0  0  0  0
    1.6948   -2.7962    0.5178 C   0  0  0  0  0
   -0.2343    0.6957    0.0127 H   0  0  0  0  0
   -0.3233   -0.9018    0.7764 H   0  0  0  0  0
    0.0031   -0.7616   -0.9561 H   0  0  0  0  0
    1.7735    0.0437    1.3896 H   0  0  0  0  0
    2.9862   -0.9506   -3.1156 H   0  0  0  0  0
    2.7455    1.4596   -2.3012 H   0  0  0  0  0
    1.3369    0.4293   -2.1742 H   0  0  0  0  0
    5.0698   -0.0888   -1.0286 H   0  0  0  0  0
    4.8876    0.6354   -2.6326 H   0  0  0  0  0
    4.4473   -2.1544   -4.1742 H   0  0  0  0  0
    6.1993   -2.2497   -4.5099 H   0  0  0  0  0
    5.3520   -0.6712   -4.6471 H   0  0  0  0  0
    7.3377   -0.5393   -1.5002 H   0  0  0  0  0
    7.1464    0.1790   -3.1390 H   0  0  0  0  0
    7.8250   -1.4738   -2.9573 H   0  0  0  0  0
    5.8916   -2.4128   -0.8149 H   0  0  0  0  0
    6.4685   -3.2873   -2.2654 H   0  0  0  0  0
    4.7166   -3.1241   -1.9944 H   0  0  0  0  0
    4.3815   -0.6528    0.8162 H   0  0  0  0  0
    4.3849   -2.4161    0.8136 H   0  0  0  0  0
    3.4972   -1.5268    2.0572 H   0  0  0  0  0
    0.8356   -2.9480   -0.1468 H   0  0  0  0  0
    1.3353   -2.7271    1.5497 H   0  0  0  0  0
    2.3029   -3.7040    0.4251 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
M  CHG  1   9   1
M  END

>  <Chemical Name>
CHEMBL593620

>  <PubChem CID>
46227485

>  <Formula>
C11H24NO2+

>  <Molecular Weight>
202.318000

>  <IUPAC Name>
trimethyl-[[(2R,5S)-5,6,6-trimethyl-1,4-dioxan-2-yl]methyl]azanium

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1C(OC(CO1)C[N+](C)(C)C)(C)C

>  <Isomeric SMILES>
C[C@H]1C(O[C@@H](CO1)C[N+](C)(C)C)(C)C

>  <InChI Std. ID>
InChI=1S/C11H24NO2/c1-9-11(2,3)14-10(8-13-9)7-12(4,5)6/h9-10H,7-8H2,1-6H3/q+1/t9-,10+/m0/s1

>  <InChI Key>
BNQYUZVIPASURO-VHSXEESVSA-N

