
 Oxotremorine M

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.8300   -0.5161   -1.6426 C   0  0  0  0  0
    2.3928   -0.0213   -0.2679 N   0  0  0  0  0
    0.8735    0.0652   -0.2375 C   0  0  0  0  0
    2.8513   -1.0021    0.8025 C   0  0  0  0  0
    2.9607    1.3857    0.0000 C   0  0  0  0  0
    4.4047    1.3857    0.0000 C   0  0  0  0  0
    5.5949    1.3857    0.0000 C   0  0  0  0  0
    7.0389    1.3857    0.0000 C   0  0  0  0  0
    7.5301    2.6639   -0.4729 N   0  0  0  0  0
    8.7092    3.2765    0.0844 C   0  0  0  0  0
    8.7851    4.5983   -0.6513 C   0  0  0  0  0
    8.2459    4.2658   -2.0371 C   0  0  0  0  0
    7.3175    3.1025   -1.7789 C   0  0  0  0  0
    6.5533    2.6107   -2.5939 O   0  0  0  0  0
    3.9158   -0.6459   -1.6528 H   0  0  0  0  0
    2.5193    0.2183   -2.3916 H   0  0  0  0  0
    2.3435   -1.4791   -1.8293 H   0  0  0  0  0
    0.5478    0.7624   -1.0151 H   0  0  0  0  0
    0.5647    0.4204    0.7506 H   0  0  0  0  0
    0.4642   -0.9326   -0.4258 H   0  0  0  0  0
    3.9345   -1.1355    0.7318 H   0  0  0  0  0
    2.3518   -1.9597    0.6284 H   0  0  0  0  0
    2.5743   -0.6018    1.7822 H   0  0  0  0  0
    2.5635    1.7116    0.9679 H   0  0  0  0  0
    2.5615    2.0453   -0.7787 H   0  0  0  0  0
    7.4392    0.6025   -0.6522 H   0  0  0  0  0
    7.4180    1.2191    1.0137 H   0  0  0  0  0
    9.5744    2.6417   -0.1377 H   0  0  0  0  0
    8.6038    3.4043    1.1656 H   0  0  0  0  0
    8.1265    5.3320   -0.1695 H   0  0  0  0  0
    9.7950    5.0169   -0.6749 H   0  0  0  0  0
    7.7040    5.1090   -2.4735 H   0  0  0  0  0
    9.0446    3.9377   -2.7089 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  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  3  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
M  CHG  1   2   1
M  END

>  <Chemical Name>
Oxotremorine M

>  <PubChem CID>
4629

>  <Formula>
C11H19N2O+

>  <Molecular Weight>
195.286000

>  <IUPAC Name>
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium

>  <XlogP>
-0.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C[N+](C)(C)CC#CCN1CCCC1=O

>  <Isomeric SMILES>
C[N+](C)(C)CC#CCN1CCCC1=O

>  <InChI Std. ID>
InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1

>  <InChI Key>
CANZROMYQDHYHR-UHFFFAOYSA-N

