2829663
  -OEChem-05231310392D

 51 49  0     0  0  0  0  0  0999 V2000
    5.0501    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    4.7690    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1350    5.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    5.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    5.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    3.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    3.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    6.0335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    5.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2439    3.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2439    4.3015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    6.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    7.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957    4.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3732    4.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6002    5.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7532    5.8059    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  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
2829663

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
130

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfByAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACADBAAQCAAMAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAIAgAAEAAAAAACAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
triethyl(nonyl)ammonium;iodide

> <PUBCHEM_IUPAC_CAS_NAME>
triethyl(nonyl)ammonium;iodide

> <PUBCHEM_IUPAC_NAME>
triethyl(nonyl)azanium;iodide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
triethyl(nonyl)azanium;iodide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
triethyl(nonyl)ammonium;iodide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H34N.HI/c1-5-9-10-11-12-13-14-15-16(6-2,7-3)8-4;/h5-15H2,1-4H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
FNBNEEVTDSTXSC-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
355.173598

> <PUBCHEM_MOLECULAR_FORMULA>
C15H34IN

> <PUBCHEM_MOLECULAR_WEIGHT>
355.34163

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC[N+](CC)(CC)CC.[I-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCC[N+](CC)(CC)CC.[I-]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.173598

> <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

$$$$