
 CID 44264496

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.7574    0.6777   -1.5691 C   0  0  0  0  0
    4.6443    0.8751   -0.3377 C   0  0  0  0  0
    5.6963   -0.2296   -0.2586 C   0  0  0  0  0
    5.3177    2.2569   -0.3500 C   0  0  0  0  0
    4.3044    3.2654   -0.2899 O   0  0  0  0  0
    4.7749    4.5313   -0.2995 C   0  0  0  0  0
    6.0787    4.8083   -0.4256 N   0  0  0  0  0
    6.1685    6.2007   -0.3891 O   0  0  0  0  0
    4.9216    6.6987   -0.2489 C   0  0  0  0  0
    3.9983    5.6866   -0.1821 C   0  0  0  0  0
    2.5592    5.9351   -0.0256 C   0  0  0  0  0
    2.3651    7.3525    0.4230 N   0  0  0  0  0
    2.4531    7.4290    1.4405 H   0  0  0  0  0
    1.3307    7.5707    0.3082 H   0  0  0  0  0
    3.1578    8.3980   -0.3003 C   0  0  0  0  0
    4.6744    8.1510   -0.1392 C   0  0  0  0  0
   -0.4837    7.9257    0.5126 Cl  0  0  0  0  0
    2.9584    1.4252   -1.6053 H   0  0  0  0  0
    3.2853   -0.3102   -1.5518 H   0  0  0  0  0
    4.3394    0.7582   -2.4933 H   0  0  0  0  0
    3.9980    0.8099    0.5472 H   0  0  0  0  0
    6.3674   -0.2021   -1.1236 H   0  0  0  0  0
    5.2232   -1.2163   -0.2277 H   0  0  0  0  0
    6.3045   -0.1226    0.6456 H   0  0  0  0  0
    5.9126    2.3661   -1.2675 H   0  0  0  0  0
    5.9749    2.3436    0.5245 H   0  0  0  0  0
    2.0321    5.8237   -0.9788 H   0  0  0  0  0
    2.0995    5.2919    0.7315 H   0  0  0  0  0
    2.8697    9.3716    0.1066 H   0  0  0  0  0
    2.8570    8.3468   -1.3528 H   0  0  0  0  0
    5.0014    8.4994    0.8470 H   0  0  0  0  0
    5.2302    8.7109   -0.8979 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 16  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 15  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
M  CHG  2  12   1  17  -1
M  END

>  <Chemical Name>
CID 44264496

>  <PubChem CID>
44264496

>  <Formula>
C10H17ClN2O2

>  <Molecular Weight>
232.708000

>  <IUPAC Name>
3-(2-methylpropoxy)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-5-ium;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)COC1=NOC2=C1C[NH2+]CC2.[Cl-]

>  <Isomeric SMILES>
CC(C)COC1=NOC2=C1C[NH2+]CC2.[Cl-]

>  <InChI Std. ID>
InChI=1S/C10H16N2O2.ClH/c1-7(2)6-13-10-8-5-11-4-3-9(8)14-12-10;/h7,11H,3-6H2,1-2H3;1H

>  <InChI Key>
ASLGIQYPFOFVJA-UHFFFAOYSA-N

