66133
  -OEChem-05211305532D

 37 36  0     0  0  0  0  0  0999 V2000
    6.3890    2.8700    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    4.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    3.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    4.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    3.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    4.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    4.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    4.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3516    5.1981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613    5.5966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    3.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8766    2.6434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    2.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3890    3.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    3.8740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    5.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1490    4.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    4.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    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 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
 12 34  1  0  0  0  0
 13 15  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
66133

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
135

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByAAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAAAAAADADBGAQyAIMAAACAAiBCAACCAAAgAAAIiAAIBIgIICKAkRGEIAhggACIiAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
benzyl(triethyl)ammonium;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
triethyl-(phenylmethyl)ammonium;chloride

> <PUBCHEM_IUPAC_NAME>
benzyl(triethyl)azanium;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
triethyl-(phenylmethyl)azanium;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzyl(triethyl)ammonium;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
HTZCNXWZYVXIMZ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
227.144077

> <PUBCHEM_MOLECULAR_FORMULA>
C13H22ClN

> <PUBCHEM_MOLECULAR_WEIGHT>
227.77348

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC[N+](CC)(CC)CC1=CC=CC=C1.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[N+](CC)(CC)CC1=CC=CC=C1.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
227.144077

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
11  13  8
12  14  8
13  15  8
14  15  8
7  11  8
7  12  8

$$$$