2734226
  -OEChem-04192423262D

 43 43  0     0  0  0  0  0  0999 V2000
    6.3301    2.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    4.1149    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    3.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    3.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    4.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4179    4.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.1587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.3413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.6587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.9935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.6837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.8413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -5.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -4.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7288    2.9723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315    2.9723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.4609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657    4.6165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9195    4.5595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7823    5.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    5.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  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 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  2  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
M  CHG  1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
2734226

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
159

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAAAAAACADBAgQvkBcMEACgABAnZAAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-decyl-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_CAS_NAME>
1-decyl-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-decyl-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_NAME>
1-decyl-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-decyl-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-decyl-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H27N2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16/h12-14H,3-11H2,1-2H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
LDVVBLGHGCHZBJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
223.217423870

> <PUBCHEM_MOLECULAR_FORMULA>
C14H27N2+

> <PUBCHEM_MOLECULAR_WEIGHT>
223.38

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCN1C=C[N+](=C1)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCN1C=C[N+](=C1)C

> <PUBCHEM_CACTVS_TPSA>
8.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
223.217423870

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  12  8
1  13  8
13  15  8
2  12  8
2  15  8

$$$$