
 SMR000122163

 59 60  0  0  0  0  0  0  0  0999 V2000
    1.8524   -1.2236    0.5000 C   0  0  0  0  0
    3.3632   -1.0114    0.5327 C   0  0  0  0  0
    3.7169    0.4684    0.3472 C   0  0  0  0  0
    5.2350    0.6835    0.3890 C   0  0  0  0  0
    5.5799    2.1685    0.2273 C   0  0  0  0  0
    7.0957    2.3979    0.2761 C   0  0  0  0  0
    7.4212    3.8910    0.1534 C   0  0  0  0  0
    8.9332    4.1414    0.1997 C   0  0  0  0  0
    9.2335    5.6422    0.1172 C   0  0  0  0  0
   10.7421    5.9140    0.1213 C   0  0  0  0  0
   10.9942    7.3642    0.0581 N   0  0  0  0  0
   11.2218    7.9938   -1.1439 C   0  0  0  0  0
   11.5004    9.3463   -1.2157 C   0  0  0  0  0
   11.8065    9.7630   -2.6117 C   0  0  0  0  0
   11.2030    8.5834   -3.3937 C   0  0  0  0  0
   11.3048    7.3489   -2.4842 C   0  0  0  0  0
   11.5675   10.1238   -0.0477 C   0  0  0  0  0
   11.8783   11.3702   -0.0711 N   0  0  0  0  0
   11.2818    9.4837    1.1631 C   0  0  0  0  0
   10.9994    8.1320    1.1984 C   0  0  0  0  0
   10.8520    7.6471    2.6012 C   0  0  0  0  0
   10.6136    8.9797    3.3322 C   0  0  0  0  0
   11.3500   10.0657    2.5295 C   0  0  0  0  0
    2.2502   -0.8079   -3.8005 Br  0  0  0  0  0
    1.6244   -2.3015    0.6377 H   0  0  0  0  0
    1.4367   -0.8931   -0.4751 H   0  0  0  0  0
    1.3639   -0.6498    1.3164 H   0  0  0  0  0
    3.8292   -1.6124   -0.2783 H   0  0  0  0  0
    3.7529   -1.3681    1.5112 H   0  0  0  0  0
    3.2408    1.0608    1.1597 H   0  0  0  0  0
    3.3223    0.8215   -0.6313 H   0  0  0  0  0
    5.7134    0.1002   -0.4284 H   0  0  0  0  0
    5.6290    0.3227    1.3648 H   0  0  0  0  0
    5.0975    2.7429    1.0489 H   0  0  0  0  0
    5.1845    2.5360   -0.7456 H   0  0  0  0  0
    7.5805    1.8403   -0.5555 H   0  0  0  0  0
    7.4943    2.0179    1.2427 H   0  0  0  0  0
    6.9349    4.4367    0.9921 H   0  0  0  0  0
    7.0166    4.2792   -0.8077 H   0  0  0  0  0
    9.4173    3.6155   -0.6528 H   0  0  0  0  0
    9.3481    3.7404    1.1507 H   0  0  0  0  0
    8.7552    6.1573    0.9765 H   0  0  0  0  0
    8.8022    6.0542   -0.8215 H   0  0  0  0  0
   11.1959    5.3967   -0.7504 H   0  0  0  0  0
   11.2346    5.4778    1.0175 H   0  0  0  0  0
   11.3211   10.7087   -2.9356 H   0  0  0  0  0
   12.9108    9.8222   -2.7145 H   0  0  0  0  0
   11.5544    8.4551   -4.4385 H   0  0  0  0  0
   10.1106    8.8072   -3.4487 H   0  0  0  0  0
   12.2936    6.8468   -2.5585 H   0  0  0  0  0
   10.4772    6.6458   -2.7208 H   0  0  0  0  0
   12.0953   11.8655   -0.9490 H   0  0  0  0  0
    9.9972    6.9640    2.7873 H   0  0  0  0  0
   11.8120    7.1711    2.8953 H   0  0  0  0  0
    9.5296    9.1980    3.1806 H   0  0  0  0  0
   10.7884    8.9772    4.4287 H   0  0  0  0  0
   10.8309   11.0415    2.6474 H   0  0  0  0  0
   12.4222   10.1480    2.8085 H   0  0  0  0  0
    1.4616   -1.7596   -2.9013 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 20  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 46  1  0  0  0
 14 47  1  0  0  0
 15 16  1  0  0  0
 15 48  1  0  0  0
 15 49  1  0  0  0
 16 50  1  0  0  0
 16 51  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 18 52  1  0  0  0
 19 23  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 53  1  0  0  0
 21 54  1  0  0  0
 22 23  1  0  0  0
 22 55  1  0  0  0
 22 56  1  0  0  0
 23 57  1  0  0  0
 23 58  1  0  0  0
 24 59  1  0  0  0
M  END

>  <Chemical Name>
SMR000122163

>  <PubChem CID>
9549474

>  <Formula>
C21H35BrN2

>  <Molecular Weight>
395.429000

>  <IUPAC Name>
4-decyl-1,2,3,5,6,7-hexahydrodicyclopenta[1,2-c:1',2'-g]pyridin-8-imine;hydrobromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCCCCCCN1C2=C(CCC2)C(=N)C3=C1CCC3.Br

>  <Isomeric SMILES>
CCCCCCCCCCN1C2=C(CCC2)C(=N)C3=C1CCC3.Br

>  <InChI Std. ID>
InChI=1S/C21H34N2.BrH/c1-2-3-4-5-6-7-8-9-16-23-19-14-10-12-17(19)21(22)18-13-11-15-20(18)23;/h22H,2-16H2,1H3;1H

>  <InChI Key>
FMEVPWMERPCLCQ-UHFFFAOYSA-N

