53316406
  -OEChem-05122404152D

 38 37  0     0  0  0  0  0  0999 V2000
    3.1350    1.0369    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    1.9030    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6350    0.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418    6.1108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    7.6496    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0418    5.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    6.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2328    6.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418    7.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758    4.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1296    8.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.0369    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
    5.7331    1.5369    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
    3.2539    4.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6524    5.2185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    6.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6431    6.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1774    8.1512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658    5.1477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6388    4.3008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858    4.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312    8.0942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4940    8.9603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    8.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    0.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    0.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    2.0739    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
53316406

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
168

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOAIAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAAACAAAADhggYvkBcMERCgQBAnZIAAgC0REqAJQAAYMACASAAACAAQAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
diethyl phosphate;1-ethyl-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_CAS_NAME>
diethyl phosphate;1-ethyl-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
diethyl phosphate;1-ethyl-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_NAME>
diethyl phosphate;1-ethyl-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diethyl phosphate;1-ethyl-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diethyl phosphate;1-ethyl-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H11N2.C4H11O4P/c1-3-8-5-4-7(2)6-8;1-3-7-9(5,6)8-4-2/h4-6H,3H2,1-2H3;3-4H2,1-2H3,(H,5,6)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
HQWOEDCLDNFWEV-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
264.12389415

> <PUBCHEM_MOLECULAR_FORMULA>
C10H21N2O4P

> <PUBCHEM_MOLECULAR_WEIGHT>
264.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C=C[N+](=C1)C.CCOP(=O)([O-])OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C=C[N+](=C1)C.CCOP(=O)([O-])OCC

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.12389415

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
10  11  8
6  10  8
6  9  8
7  11  8
7  9  8

$$$$