
 SCHEMBL10653962

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.6294    1.3539   -2.0760 C   0  0  0  0  0
    3.4596    1.9128   -0.9339 C   0  0  0  0  0
    4.1851    0.8308   -0.3523 O   0  0  0  0  0
    5.2601    1.2099    0.3746 C   0  0  0  0  0
    5.5464    2.4537    0.9081 N   0  0  0  0  0
    5.0062    3.3444    0.9081 H   0  0  0  0  0
    6.7371    2.4410    1.5497 O   0  0  0  0  0
    7.1769    1.1547    1.4252 C   0  0  0  0  0
    6.3059    0.3315    0.7255 C   0  0  0  0  0
    6.5637   -1.1043    0.4871 C   0  0  0  0  0
    8.0216   -1.3498    0.6229 N   0  0  0  0  0
    8.5845   -0.7983    1.8853 C   0  0  0  0  0
    8.4958    0.7506    1.9555 C   0  0  0  0  0
    8.2919   -2.7860    0.5289 C   0  0  0  0  0
    4.2069    4.9215    1.0863 Cl  0  0  0  0  0
    2.0569    2.1460   -2.5662 H   0  0  0  0  0
    1.9370    0.5879   -1.7128 H   0  0  0  0  0
    3.2751    0.8733   -2.8187 H   0  0  0  0  0
    2.7974    2.3512   -0.1811 H   0  0  0  0  0
    4.1381    2.6728   -1.3384 H   0  0  0  0  0
    5.9948   -1.7000    1.2120 H   0  0  0  0  0
    6.2344   -1.3797   -0.5213 H   0  0  0  0  0
    9.6418   -1.0754    1.9790 H   0  0  0  0  0
    8.0590   -1.2335    2.7464 H   0  0  0  0  0
    9.2833    1.1940    1.3353 H   0  0  0  0  0
    8.6338    1.0926    2.9857 H   0  0  0  0  0
    9.3709   -2.9751    0.5394 H   0  0  0  0  0
    7.9115   -3.1890   -0.4164 H   0  0  0  0  0
    7.8346   -3.3460    1.3527 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
M  CHG  2   5   1  15  -1
M  END

>  <Chemical Name>
SCHEMBL10653962

>  <PubChem CID>
20237695

>  <Formula>
C9H15ClN2O2

>  <Molecular Weight>
218.681000

>  <IUPAC Name>
3-ethoxy-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-2-ium;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=[NH+]OC2=C1CN(CC2)C.[Cl-]

>  <Isomeric SMILES>
CCOC1=[NH+]OC2=C1CN(CC2)C.[Cl-]

>  <InChI Std. ID>
InChI=1S/C9H14N2O2.ClH/c1-3-12-9-7-6-11(2)5-4-8(7)13-10-9;/h3-6H2,1-2H3;1H

>  <InChI Key>
AQYXZOFAYAWXHY-UHFFFAOYSA-N

