
 (R)-zacopride

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.4881    0.6808    1.6520 C   0  0  0  0  0
    3.5791    0.6889    0.7337 O   0  0  0  0  0
    3.4675    1.5243   -0.3514 C   0  0  0  0  0
    2.6667    2.6806   -0.3330 C   0  0  0  0  0
    2.5597    3.5180   -1.4523 C   0  0  0  0  0
    3.3563    3.2361   -2.5703 C   0  0  0  0  0
    4.1666    2.1028   -2.6023 C   0  0  0  0  0
    4.2298    1.2330   -1.4988 C   0  0  0  0  0
    5.1228    0.0372   -1.6638 C   0  0  0  0  0
    5.7336   -0.1279   -2.7162 O   0  0  0  0  0
    5.2243   -0.8453   -0.6136 N   0  0  0  0  0
    6.1330   -1.9825   -0.6513 C   0  0  0  0  0
    5.7382   -3.0886    0.3621 C   0  0  0  0  0
    6.8580   -3.4518    1.2676 N   0  0  0  0  0
    8.0066   -3.8996    0.4474 C   0  0  0  0  0
    8.4690   -2.8152   -0.5402 C   0  0  0  0  0
    7.5944   -1.5611   -0.3715 C   0  0  0  0  0
    7.7210   -1.1122    1.0945 C   0  0  0  0  0
    7.2571   -2.2447    2.0232 C   0  0  0  0  0
    3.3270    4.2701   -3.9565 Cl  0  0  0  0  0
    1.8419    4.7237   -1.3370 N   0  0  0  0  0
    2.6243   -0.1744    2.3209 H   0  0  0  0  0
    1.5312    0.5518    1.1347 H   0  0  0  0  0
    2.4879    1.5852    2.2681 H   0  0  0  0  0
    2.1247    2.9656    0.5636 H   0  0  0  0  0
    4.7585    1.8970   -3.4929 H   0  0  0  0  0
    4.7928   -0.5817    0.2666 H   0  0  0  0  0
    6.0798   -2.4045   -1.6638 H   0  0  0  0  0
    5.4178   -3.9848   -0.1851 H   0  0  0  0  0
    4.8691   -2.7909    0.9627 H   0  0  0  0  0
    7.7373   -4.8121   -0.0991 H   0  0  0  0  0
    8.8388   -4.1858    1.1028 H   0  0  0  0  0
    9.5217   -2.5679   -0.3586 H   0  0  0  0  0
    8.3968   -3.1894   -1.5685 H   0  0  0  0  0
    7.9251   -0.7659   -1.0478 H   0  0  0  0  0
    8.7644   -0.8562    1.3152 H   0  0  0  0  0
    7.1252   -0.2102    1.2746 H   0  0  0  0  0
    8.0560   -2.4989    2.7310 H   0  0  0  0  0
    6.4173   -1.9016    2.6405 H   0  0  0  0  0
    1.0273    4.6778   -0.7336 H   0  0  0  0  0
    1.6302    5.1375   -2.2459 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
(R)-zacopride

>  <PubChem CID>
9819593

>  <Formula>
C15H20ClN3O2

>  <Molecular Weight>
309.794000

>  <IUPAC Name>
4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-methoxybenzamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)N[C@H]2CN3CCC2CC3)Cl)N

>  <InChI Std. ID>
InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m0/s1

>  <InChI Key>
FEROPKNOYKURCJ-ZDUSSCGKSA-N

