60196293
  -OEChem-04252409432D

 48 51  0     0  0  0  0  0  0999 V2000
    5.8566    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5927    7.5061    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6380    7.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3858    4.6133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    7.9952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4343    5.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7740    4.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6505    6.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0335    3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1837    5.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9593    5.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9108    4.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2873    6.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    6.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6607    6.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9423    7.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9577    7.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    7.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3388    5.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3183    5.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    5.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3089    7.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9278    5.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060    6.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2854    6.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1861    3.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2412    4.4532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1686    6.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2999    6.9926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5103    3.0408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4095    2.8807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4983    5.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7132    5.9579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2927    4.8624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8449    4.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7855    6.0116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5445    5.7682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1425    8.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    8.6152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7519    5.4180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1199    5.0843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1467    5.0843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    8.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    5.4180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8566    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 48  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 19  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  2  0  0  0  0
 19 40  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60196293

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
528

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAEAAAAAAAAAAAAAAAAAWAAAAA8eLECAAAAAFgB/AAAHwAQAAAADQzhngYwxvPJlACgAyRiRACCiCAhIiAImSA+bJgMJuLEsZuGOCjm0BnI6AeQ0PMOoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(2E)-2-fluoro-2-quinuclidin-3-ylidene-ethoxy]-9H-carbazole;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(2<I>E</I>)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9<I>H</I>-carbazole;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoranyl-ethoxy]-9H-carbazole;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(2E)-2-fluoro-2-quinuclidin-3-ylidene-ethoxy]-9H-carbazole;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H21FN2O.ClH/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15;/h1-6,11,14,23H,7-10,12-13H2;1H/b19-18-;

> <PUBCHEM_IUPAC_INCHIKEY>
JWXYVHMBPISIJQ-TVWXOORISA-N

> <PUBCHEM_EXACT_MASS>
372.1404692

> <PUBCHEM_MOLECULAR_FORMULA>
C21H22ClFN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
372.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN2CCC1C(=C(COC3=CC4=C(C=C3)C5=CC=CC=C5N4)F)C2.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN2CCC1/C(=C(/COC3=CC4=C(C=C3)C5=CC=CC=C5N4)\F)/C2.Cl

> <PUBCHEM_CACTVS_TPSA>
28.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.1404692

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  19  8
15  21  8
16  17  8
16  19  8
17  18  8
17  22  8
18  20  8
18  23  8
20  24  8
21  22  8
23  25  8
24  26  8
25  26  8
5  16  8
5  20  8

$$$$