Mrv1533004251517542D          

 34 32  0  0  0  0            999 V2000
   -1.3145   -4.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7270   -3.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145   -3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7270   -2.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145   -1.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7270   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7270    0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145    1.2035    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9020    1.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0770    1.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3355    1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605    1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730    0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980    0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145   -0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145   -1.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8289   -1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8289   -2.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434   -2.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434   -3.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145    2.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145    2.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8289    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434    2.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2579    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9927    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  2   9   1  34  -1
M  END
> <DATABASE_ID>
CHEM017408

> <DATABASE_NAME>
chemdb

> <SMILES>
[Br-].CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1

> <INCHI_KEY>
QBVXKDJEZKEASM-UHFFFAOYSA-M

> <FORMULA>
C32H68BrN

> <MOLECULAR_WEIGHT>
546.807

> <EXACT_MASS>
545.453514

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
67.71661213949666

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetraoctylazanium bromide

> <ALOGPS_LOGP>
5.50

> <JCHEM_LOGP>
8.436527547861585

> <ALOGPS_LOGS>
-7.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
165.0121

> <JCHEM_ROTATABLE_BOND_COUNT>
28

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.34e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetraoctylazanium bromide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Tetra-N-octylammonium bromide

> <CAS>
14866-33-2

$$$$