2734117
  -OEChem-04192407222D

102100  0     0  0  0  0  0  0999 V2000
    7.2151    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    7.4651    9.9651    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3312   10.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    9.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9651    9.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    9.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    9.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   11.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    8.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632   10.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    9.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651   12.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9651    7.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    9.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    9.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   13.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    6.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953   10.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651   14.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9651    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    9.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   15.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5273   10.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    9.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651   16.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9651    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3933    9.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   16.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297   10.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326   10.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0021    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 35  1  0  0  0  0
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  4  8  1  0  0  0  0
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 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 18  1  0  0  0  0
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 14 58  1  0  0  0  0
 15 19  1  0  0  0  0
 15 59  1  0  0  0  0
 15 60  1  0  0  0  0
 16 20  1  0  0  0  0
 16 61  1  0  0  0  0
 16 62  1  0  0  0  0
 17 21  1  0  0  0  0
 17 63  1  0  0  0  0
 17 64  1  0  0  0  0
 18 22  1  0  0  0  0
 18 65  1  0  0  0  0
 18 66  1  0  0  0  0
 19 23  1  0  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 20 24  1  0  0  0  0
 20 69  1  0  0  0  0
 20 70  1  0  0  0  0
 21 25  1  0  0  0  0
 21 71  1  0  0  0  0
 21 72  1  0  0  0  0
 22 26  1  0  0  0  0
 22 73  1  0  0  0  0
 22 74  1  0  0  0  0
 23 27  1  0  0  0  0
 23 75  1  0  0  0  0
 23 76  1  0  0  0  0
 24 28  1  0  0  0  0
 24 77  1  0  0  0  0
 24 78  1  0  0  0  0
 25 29  1  0  0  0  0
 25 79  1  0  0  0  0
 25 80  1  0  0  0  0
 26 30  1  0  0  0  0
 26 81  1  0  0  0  0
 26 82  1  0  0  0  0
 27 31  1  0  0  0  0
 27 83  1  0  0  0  0
 27 84  1  0  0  0  0
 28 32  1  0  0  0  0
 28 85  1  0  0  0  0
 28 86  1  0  0  0  0
 29 33  1  0  0  0  0
 29 87  1  0  0  0  0
 29 88  1  0  0  0  0
 30 34  1  0  0  0  0
 30 89  1  0  0  0  0
 30 90  1  0  0  0  0
 31 91  1  0  0  0  0
 31 92  1  0  0  0  0
 31 93  1  0  0  0  0
 32 94  1  0  0  0  0
 32 95  1  0  0  0  0
 32 96  1  0  0  0  0
 33 97  1  0  0  0  0
 33 98  1  0  0  0  0
 33 99  1  0  0  0  0
 34100  1  0  0  0  0
 34101  1  0  0  0  0
 34102  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
2734117

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
281

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
28

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB+AAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACADBAAQCAAMAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAIAgAAEAAAAAACAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetraoctylammonium;bromide

> <PUBCHEM_IUPAC_CAS_NAME>
tetraoctylammonium;bromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
tetraoctylazanium;bromide

> <PUBCHEM_IUPAC_NAME>
tetraoctylazanium;bromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetraoctylazanium;bromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetraoctylammonium;bromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
QBVXKDJEZKEASM-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
545.45351

> <PUBCHEM_MOLECULAR_FORMULA>
C32H68BrN

> <PUBCHEM_MOLECULAR_WEIGHT>
546.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
545.45351

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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

$$$$