117870
  -OEChem-05132406282D

 60 58  0     1  0  0  0  0  0999 V2000
    0.0000    1.6890    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.9334    0.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945    1.5845    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1756    3.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4927    8.0338    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1646    3.0980    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.6646    4.6368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7524    2.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768    2.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6646    4.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247    3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6678    4.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3457    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6189    3.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3620    4.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5823    2.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3131    4.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0562    4.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0073    4.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7504    5.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7015    4.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4446    5.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3957    5.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892    3.9379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456    3.1488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2664    1.9423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1831    2.7350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059    1.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1341    2.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294    5.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582    4.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6336    2.8293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132    2.9950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589    4.5933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    4.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8317    1.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150    0.9294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3278    3.1894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1075    3.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531    4.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8735    4.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0220    3.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017    3.7153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3473    5.3135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5677    5.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7162    3.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4959    4.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415    5.6736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2619    5.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4104    4.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901    4.4355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7357    6.0338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9561    5.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2041    4.5877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9853    4.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5873    5.7670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4927    8.0338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  2 50  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  2  0  0  0  0
  5 60  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
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 18  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
M  CHG  4   1   1   3  -1   5  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
117870

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
366

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OCAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAACAAACADhgAYDCAMAAgAoAAKwLAAAAAEAAAABAAC4AAACUAIAiCAUAAAAAACQAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide

> <PUBCHEM_IUPAC_NAME>
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]ethanoate;hydroxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-2-imidazolin-1-ium-1-yl]acetate;hydroxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H34N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23;;/h21H,2-16H2,1H3;;1H2/q;+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
GOJYXPWOUJYXJC-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
366.24945188

> <PUBCHEM_MOLECULAR_FORMULA>
C18H35N2NaO4

> <PUBCHEM_MOLECULAR_WEIGHT>
366.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].[OH-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].[OH-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
73.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.24945188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
6  10  3

$$$$