6433498
  -OEChem-04262421552D

 58 56  0     0  0  0  0  0  0999 V2000
    8.0812    0.0000    0.0000 F   0  5  0  0  0  0  0  0  0  0  0  0
   16.1254    3.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.7953    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5273    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3933    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3967    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0598    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2628    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5307    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1288    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9258    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6647    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4617    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7919    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9948    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8608    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6579    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6623    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4354    3.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8154    4.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    4.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  2 53  1  0  0  0  0
  2 54  1  0  0  0  0
  2 55  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 15  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 18  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 17  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 19  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 20  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  2  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
6433498

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
175

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6AQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACADBAAQCAABAAACAACBCAAAAAAAgAAAICIAAAAgAAAIAgQAAAAAAkAAIAAMQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(E)-octadec-9-enyl]ammonium;fluoride

> <PUBCHEM_IUPAC_CAS_NAME>
[(E)-octadec-9-enyl]ammonium;fluoride

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(<I>E</I>)-octadec-9-enyl]azanium;fluoride

> <PUBCHEM_IUPAC_NAME>
[(E)-octadec-9-enyl]azanium;fluoride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(E)-octadec-9-enyl]azanium;fluoride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(E)-octadec-9-enyl]ammonium;fluoride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H37N.FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-19H2,1H3;1H/b10-9+;

> <PUBCHEM_IUPAC_INCHIKEY>
QGSCPWWHMSCFOV-RRABGKBLSA-N

> <PUBCHEM_EXACT_MASS>
287.29882838

> <PUBCHEM_MOLECULAR_FORMULA>
C18H38FN

> <PUBCHEM_MOLECULAR_WEIGHT>
287.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC=CCCCCCCCC[NH3+].[F-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC/C=C/CCCCCCCC[NH3+].[F-]

> <PUBCHEM_CACTVS_TPSA>
27.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.29882838

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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

$$$$