23558
  -OEChem-04192421102D

 72 70  0     0  0  0  0  0  0999 V2000
    8.9472    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    9.1972    3.9030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.0632    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6972    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6972    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5273    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3933    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1254    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9914    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8574    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4617    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6647    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5307    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    4.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    4.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2341    5.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3872    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1602    4.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1602    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0072    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2341    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3967    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2628    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0598    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    4.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    4.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9258    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1288    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9948    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7919    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    4.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    4.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6579    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8608    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7269    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5239    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3899    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5929    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    2.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5474    3.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3944    3.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1674    4.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    4.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  9  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 10  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 12  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 13  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 14  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 15  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 16  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 17  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 18  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 19  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 20  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 21  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 22  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 23  1  0  0  0  0
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 24  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 23 69  1  0  0  0  0
 24 70  1  0  0  0  0
 24 71  1  0  0  0  0
 24 72  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
23558

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
200

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
18

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6AAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACADBAAQCAAMAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAIAgAAEAAAAAACAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
didecyl(dimethyl)ammonium;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
didecyl(dimethyl)ammonium;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
didecyl(dimethyl)azanium;chloride

> <PUBCHEM_IUPAC_NAME>
didecyl(dimethyl)azanium;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
didecyl(dimethyl)azanium;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
didecyl(dimethyl)ammonium;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
RUPBZQFQVRMKDG-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
361.3475282

> <PUBCHEM_MOLECULAR_FORMULA>
C22H48ClN

> <PUBCHEM_MOLECULAR_WEIGHT>
362.1

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
361.3475282

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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

$$$$