
 CHEMBL593685

 38 38  0  0  0  0  0  0  0  0999 V2000
   -1.3846   -1.0570   -0.4812 C   0  0  0  0  0
    0.0199   -0.8252    0.0677 C   0  0  0  0  0
    0.7231   -2.1155    0.6090 C   0  0  0  0  0
    2.1486   -1.9312    0.7096 O   0  0  0  0  0
    2.7955   -1.2938   -0.4010 C   0  0  0  0  0
    1.8286   -0.8271   -1.4963 C   0  0  0  0  0
    0.7637   -0.0892   -0.9219 O   0  0  0  0  0
    3.5796   -0.0664    0.1319 C   0  0  0  0  0
    4.7237   -0.3862    1.1444 N   0  0  0  0  0
    4.1829   -1.0417    2.4140 C   0  0  0  0  0
    5.7838   -1.2827    0.5282 C   0  0  0  0  0
    5.3718    0.9425    1.5372 C   0  0  0  0  0
    0.2577   -2.3638    2.0574 C   0  0  0  0  0
    0.4464   -3.4107   -0.1736 C   0  0  0  0  0
   -1.8482   -0.1006   -0.7476 H   0  0  0  0  0
   -2.0283   -1.5590    0.2463 H   0  0  0  0  0
   -1.3563   -1.6490   -1.4022 H   0  0  0  0  0
   -0.0706   -0.1154    0.8998 H   0  0  0  0  0
    3.4891   -2.0147   -0.8432 H   0  0  0  0  0
    2.3434   -0.1783   -2.2140 H   0  0  0  0  0
    1.4205   -1.6538   -2.0812 H   0  0  0  0  0
    2.9040    0.6177    0.6586 H   0  0  0  0  0
    4.0552    0.4709   -0.6973 H   0  0  0  0  0
    3.3053   -0.4821    2.7499 H   0  0  0  0  0
    4.9663   -1.0070    3.1776 H   0  0  0  0  0
    3.9443   -2.0860    2.2081 H   0  0  0  0  0
    6.1433   -0.8127   -0.3913 H   0  0  0  0  0
    5.3461   -2.2614    0.3168 H   0  0  0  0  0
    6.6026   -1.3936    1.2464 H   0  0  0  0  0
    5.7677    1.4146    0.6333 H   0  0  0  0  0
    6.1820    0.7407    2.2447 H   0  0  0  0  0
    4.6093    1.5753    2.0009 H   0  0  0  0  0
    0.5067   -1.5091    2.6979 H   0  0  0  0  0
    0.7760   -3.2266    2.4926 H   0  0  0  0  0
   -0.8204   -2.5411    2.1188 H   0  0  0  0  0
    0.7309   -3.3496   -1.2247 H   0  0  0  0  0
   -0.6100   -3.6953   -0.1286 H   0  0  0  0  0
    1.0340   -4.2384    0.2424 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>
CHEMBL593685

>  <PubChem CID>
46227483

>  <Formula>
C11H24NO2+

>  <Molecular Weight>
202.318000

>  <IUPAC Name>
trimethyl-[[(2R,5R)-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-/m1/s1

>  <InChI Key>
BNQYUZVIPASURO-NXEZZACHSA-N

