
 CHEMBL2205694

 49 50  0  0  0  0  0  0  0  0999 V2000
    2.7867    2.3453    1.0105 C   0  0  0  0  0
    3.6721    1.3466    0.2243 C   0  0  0  0  0
    3.5096   -0.1796    0.4791 C   0  0  0  0  0
    2.0006   -0.5677    0.6274 C   0  0  0  0  0
    1.1694    0.0599   -0.4848 C   0  0  0  0  0
    1.7944    0.8354   -1.4045 C   0  0  0  0  0
    3.3108    1.0212   -1.2518 C   0  0  0  0  0
    3.8834   -0.4004   -1.0080 C   0  0  0  0  0
    1.0266    1.5056   -2.5373 C   0  0  0  0  0
    0.7743    0.6360   -3.7316 N   0  0  0  0  0
    2.0740    0.2439   -4.3386 C   0  0  0  0  0
    0.0527   -0.6056   -3.3630 C   0  0  0  0  0
    0.0305    1.4158   -4.7774 C   0  0  0  0  0
   -1.3539    1.9303   -4.3962 C   0  0  0  0  0
   -1.5666    3.3138   -4.2431 C   0  0  0  0  0
   -2.8375    3.8059   -3.9293 C   0  0  0  0  0
   -3.9108    2.9264   -3.7713 C   0  0  0  0  0
   -3.7162    1.5536   -3.9332 C   0  0  0  0  0
   -2.4490    1.0555   -4.2495 C   0  0  0  0  0
   -5.1431    3.4061   -3.4718 F   0  0  0  0  0
    5.1483    1.8136    0.3822 C   0  0  0  0  0
    3.4063   -3.6739    2.8455 I   0  0  0  0  0
    1.7047    2.1224    0.9658 H   0  0  0  0  0
    2.9245    3.3696    0.6040 H   0  0  0  0  0
    3.0801    2.3445    2.0818 H   0  0  0  0  0
    4.1264   -0.6617    1.2677 H   0  0  0  0  0
    1.8965   -1.6720    0.5728 H   0  0  0  0  0
    1.6223   -0.2287    1.6147 H   0  0  0  0  0
    0.0983   -0.1093   -0.5231 H   0  0  0  0  0
    3.7442    1.6474   -2.0609 H   0  0  0  0  0
    4.9837   -0.4126   -1.1438 H   0  0  0  0  0
    3.4499   -1.2721   -1.5471 H   0  0  0  0  0
    1.6056    2.4028   -2.8535 H   0  0  0  0  0
    0.0793    1.9130   -2.1191 H   0  0  0  0  0
    2.6776    1.1374   -4.6162 H   0  0  0  0  0
    1.9221   -0.3640   -5.2590 H   0  0  0  0  0
    2.6852   -0.3711   -3.6469 H   0  0  0  0  0
   -0.8469   -0.3863   -2.7527 H   0  0  0  0  0
    0.6898   -1.2822   -2.7527 H   0  0  0  0  0
   -0.2393   -1.1822   -4.2687 H   0  0  0  0  0
   -0.0846    0.8200   -5.7116 H   0  0  0  0  0
    0.6538    2.2955   -5.0632 H   0  0  0  0  0
   -0.7483    4.0118   -4.3678 H   0  0  0  0  0
   -2.9902    4.8712   -3.8134 H   0  0  0  0  0
   -4.5507    0.8727   -3.8229 H   0  0  0  0  0
   -2.3346   -0.0081   -4.3971 H   0  0  0  0  0
    5.9004    1.1883   -0.1340 H   0  0  0  0  0
    5.4254    1.8227    1.4581 H   0  0  0  0  0
    5.2608    2.8439   -0.0175 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 19 46  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
M  CHG  2  10   1  22  -1
M  END

>  <Chemical Name>
CHEMBL2205694

>  <PubChem CID>
71457681

>  <Formula>
C19H27FIN

>  <Molecular Weight>
415.335000

>  <IUPAC Name>
[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl-[(4-fluorophenyl)methyl]-dimethylazanium;iodide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(C2CC=C(C1C2)C[N+](C)(C)CC3=CC=C(C=C3)F)C.[I-]

>  <Isomeric SMILES>
CC1([C@H]2CC=C([C@@H]1C2)C[N+](C)(C)CC3=CC=C(C=C3)F)C.[I-]

>  <InChI Std. ID>
InChI=1S/C19H27FN.HI/c1-19(2)16-8-7-15(18(19)11-16)13-21(3,4)12-14-5-9-17(20)10-6-14;/h5-7,9-10,16,18H,8,11-13H2,1-4H3;1H/q+1;/p-1/t16-,18-;/m0./s1

>  <InChI Key>
BNMFOFLJPOOPDY-AKXYIILFSA-M

