9886157
  -OEChem-04262413422D

 39 39  0     0  0  0  0  0  0999 V2000
    3.3787    1.0000    0.0000 P   0  5  0  0  0  0  0  0  0  0  0  0
    4.2447    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3787    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3787    2.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2447    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1722    6.8986    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8150    5.2038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    7.3110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    8.1158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.1158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    8.9205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    6.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1507    6.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616    7.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472    4.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935    4.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    9.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0229    6.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574    6.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786    7.2991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4509    8.0418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690    8.4385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2722    7.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6857    4.8736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7331    3.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6087    4.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6657    4.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4002    4.8697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9214    5.6043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    9.7358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 15  2  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 13 24  2  0  0  0  0
 14 21  1  0  0  0  0
 16 21  2  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  CHG  2   1  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
9886157

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
351

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzocIAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHgAMAAgACAjBFwQ/8L8YEACiATZnZACChC8xEqA92CA4dJiIaOLAmZGUIAhggALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylene]-dimethyl-ammonium;hexafluorophosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[dimethylamino(3-triazolo[4,5-b]pyridinyloxy)methylidene]-dimethylammonium;hexafluorophosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;hexafluorophosphate

> <PUBCHEM_IUPAC_NAME>
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;hexafluorophosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[dimethylamino([1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethyl-azanium;hexafluorophosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylene]-dimethyl-ammonium;hexafluorophosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15N6O.F6P/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
JNWBBCNCSMBKNE-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
380.09491509

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15F6N6OP

> <PUBCHEM_MOLECULAR_WEIGHT>
380.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
59.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
380.09491509

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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>
11  12  8
11  16  8
12  14  8
13  16  8
13  24  8
14  21  8
16  21  8
21  22  8
22  23  8
23  24  8

$$$$