
 Oxotremorine M

 34 33  0  0  0  0  0  0  0  0999 V2000
    1.2733   -0.3150    0.0322 C   0  0  0  0  0
    2.7481   -0.3651    0.1621 N   0  0  0  0  0
    3.0900   -0.9922    1.4618 C   0  0  0  0  0
    3.2986   -1.1824   -0.9456 C   0  0  0  0  0
    3.2714    1.0280    0.0975 C   0  0  0  0  0
    4.7369    1.1137    0.2178 C   0  0  0  0  0
    5.9345    1.1835    0.3167 C   0  0  0  0  0
    7.3956    1.2946    0.3586 C   0  0  0  0  0
    7.7981    2.6573    0.0383 N   0  0  0  0  0
    7.5092    3.7830    0.8869 C   0  0  0  0  0
    7.8433    4.9690   -0.0318 C   0  0  0  0  0
    8.9269    4.4576   -0.9936 C   0  0  0  0  0
    8.5864    3.0167   -0.9972 C   0  0  0  0  0
    9.0577    2.2207   -1.7951 O   0  0  0  0  0
    0.5435    2.9827   -2.2464 I   0  0  0  0  0
    0.9720    0.1048   -0.9538 H   0  0  0  0  0
    0.8223    0.3223    0.8258 H   0  0  0  0  0
    0.8259   -1.3299    0.1178 H   0  0  0  0  0
    2.7288   -0.3697    2.3115 H   0  0  0  0  0
    4.1883   -1.1213    1.5743 H   0  0  0  0  0
    2.6334   -2.0036    1.5513 H   0  0  0  0  0
    3.0673   -0.7238   -1.9330 H   0  0  0  0  0
    2.8716   -2.2092   -0.9346 H   0  0  0  0  0
    4.4047   -1.2767   -0.8666 H   0  0  0  0  0
    2.8518    1.6417    0.9210 H   0  0  0  0  0
    2.9722    1.5143   -0.8579 H   0  0  0  0  0
    7.8343    0.5731   -0.3651 H   0  0  0  0  0
    7.7451    1.0216    1.3773 H   0  0  0  0  0
    8.1855    3.7353    1.7688 H   0  0  0  0  0
    6.4468    3.8386    1.2085 H   0  0  0  0  0
    6.9354    5.0878   -0.6692 H   0  0  0  0  0
    8.0316    5.9499    0.4514 H   0  0  0  0  0
    8.8304    4.9516   -1.9844 H   0  0  0  0  0
    9.9559    4.5529   -0.5872 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  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  3  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
M  CHG  2   2   1  15  -1
M  END

>  <Chemical Name>
Oxotremorine M

>  <PubChem CID>
3027782

>  <Formula>
C11H19IN2O

>  <Molecular Weight>
322.190000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

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

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

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

>  <InChI Key>
VVLMSCJCXMBGDI-UHFFFAOYSA-M

