
 aceclidine

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.5917   -0.7635    1.9846 C   0  0  0  0  0
    2.8312   -0.6048    1.1581 C   0  0  0  0  0
    3.1709   -1.3701    0.2673 O   0  0  0  0  0
    3.5342    0.4846    1.5709 O   0  0  0  0  0
    4.7555    0.7358    0.8509 C   0  0  0  0  0
    5.8772   -0.2509    1.2655 C   0  0  0  0  0
    7.0553    0.4476    1.8454 N   0  0  0  0  0
    7.5860    1.4008    0.8463 C   0  0  0  0  0
    6.5249    2.4242    0.4081 C   0  0  0  0  0
    5.2220    2.1696    1.1805 C   0  0  0  0  0
    5.5504    2.2573    2.6818 C   0  0  0  0  0
    6.6087    1.2014    3.0372 C   0  0  0  0  0
    0.8923   -1.4225    1.4627 H   0  0  0  0  0
    1.1034    0.2058    2.1188 H   0  0  0  0  0
    1.8492   -1.1979    2.9532 H   0  0  0  0  0
    4.5633    0.6675   -0.2283 H   0  0  0  0  0
    6.2047   -0.8189    0.3854 H   0  0  0  0  0
    5.5108   -0.9955    1.9829 H   0  0  0  0  0
    7.9586    0.8520   -0.0275 H   0  0  0  0  0
    8.4589    1.9214    1.2599 H   0  0  0  0  0
    6.8854    3.4415    0.6012 H   0  0  0  0  0
    6.3464    2.3415   -0.6705 H   0  0  0  0  0
    4.4515    2.9036    0.9214 H   0  0  0  0  0
    5.9289    3.2584    2.9215 H   0  0  0  0  0
    4.6484    2.1029    3.2850 H   0  0  0  0  0
    7.4708    1.6825    3.5156 H   0  0  0  0  0
    6.2080    0.5063    3.7857 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
M  END

>  <Chemical Name>
aceclidine

>  <PubChem CID>
1979

>  <Formula>
C9H15NO2

>  <Molecular Weight>
169.224000

>  <IUPAC Name>
1-azabicyclo[2.2.2]octan-3-yl acetate

>  <XlogP>
0.700

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)OC1CN2CCC1CC2

>  <Isomeric SMILES>
CC(=O)OC1CN2CCC1CC2

>  <InChI Std. ID>
InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3

>  <InChI Key>
WRJPSSPFHGNBMG-UHFFFAOYSA-N

