10921
  -OEChem-04252409192D

 58 55  0     0  0  0  0  0  0999 V2000
    5.9161    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    5.9161    2.5000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    6.4030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9292    6.9030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    6.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    6.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    6.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    6.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    6.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    7.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    7.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292    6.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292    7.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6647    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4617    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    7.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    7.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    7.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    6.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    5.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    5.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1053    6.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3322    7.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4853    7.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8923    5.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7392    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9662    6.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9662    8.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1192    8.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8923    7.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  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  4   1  -1   2  -1   3   1   4   1
M  END
> <PUBCHEM_COMPOUND_CID>
10921

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
164

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7AAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACADBAAQCAAMAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAIAgAAEAAAAAAAAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trimethyl-[10-(trimethylammonio)decyl]ammonium;dibromide

> <PUBCHEM_IUPAC_CAS_NAME>
trimethyl-[10-(trimethylammonio)decyl]ammonium;dibromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
trimethyl-[10-(trimethylazaniumyl)decyl]azanium;dibromide

> <PUBCHEM_IUPAC_NAME>
trimethyl-[10-(trimethylazaniumyl)decyl]azanium;dibromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trimethyl-[10-(trimethylazaniumyl)decyl]azanium;dibromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trimethyl-[10-(trimethylammonio)decyl]ammonium;dibromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
HLXQFVXURMXRPU-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
418.13812

> <PUBCHEM_MOLECULAR_FORMULA>
C16H38Br2N2

> <PUBCHEM_MOLECULAR_WEIGHT>
418.3

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
416.14017

> <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>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$