70269110
  -OEChem-05102401152D

 46 44  0     0  0  0  0  0  0999 V2000
    9.2168    3.5387    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.2168    6.0387    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3671    9.5758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6761    8.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0580    8.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671    9.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6271    8.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    3.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    4.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    5.6196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    4.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    4.1196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    3.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    4.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    5.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    1.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    2.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890    7.1196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3905    6.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    2.6196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    1.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0791    6.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    7.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6150    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684    8.4331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0026   10.0774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4356    7.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2168    8.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8187    8.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2168    3.5387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2168    6.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 45  1  0  0  0  0
  2 46  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 18  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70269110

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
159

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzAAAAGAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAAAAAACADBAwQvkBcMEACgABInZAAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-decyl-2-methyl-imidazole;dihydrobromide

> <PUBCHEM_IUPAC_CAS_NAME>
1-decyl-2-methylimidazole;dihydrobromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-decyl-2-methylimidazole;dihydrobromide

> <PUBCHEM_IUPAC_NAME>
1-decyl-2-methylimidazole;dihydrobromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-decyl-2-methyl-imidazole;dihydrobromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-decyl-2-methyl-imidazole;dihydrobromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H26N2.2BrH/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2;;/h11,13H,3-10,12H2,1-2H3;2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
VLBHIBJCEHRKTA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
384.05987

> <PUBCHEM_MOLECULAR_FORMULA>
C14H28Br2N2

> <PUBCHEM_MOLECULAR_WEIGHT>
384.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCN1C=CN=C1C.Br.Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCN1C=CN=C1C.Br.Br

> <PUBCHEM_CACTVS_TPSA>
17.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
382.06192

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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

> <PUBCHEM_BONDANNOTATIONS>
16  17  8
3  14  8
3  16  8
4  14  8
4  17  8

$$$$