Mrv1718001171816572D          

 19 18  0  0  0  0            999 V2000
   -1.0429    2.0587    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2179    2.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0429    1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0429    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8602    2.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512    0.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118    1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512   -0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243    0.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -0.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2493    0.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -1.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1755   -1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791   -0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1755   -2.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916   -0.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8916   -2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  1   1   1
M  END
> <DATABASE_ID>
DB13970

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCC[N+](C)(C)CCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C18H40N/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3/q+1

> <INCHI_KEY>
MELGLHXCBHKVJG-UHFFFAOYSA-N

> <FORMULA>
C18H40N

> <MOLECULAR_WEIGHT>
270.524

> <EXACT_MASS>
270.315526712

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
38.5840897411922

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dimethyldioctylazanium

> <ALOGPS_LOGP>
2.78

> <JCHEM_LOGP>
2.232180198528253

> <ALOGPS_LOGS>
-7.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
100.45689999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.00e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethyldioctylazanium

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13970

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Dioctyldimonium

> <SYNONYMS>
Dimethyldioctylammonium; Dioctyldimonium cation; Dioctyldimonium ion

> <PRODUCTS>
Quick Defense 4m Disinfectant Wipes

> <SALTS>
Dioctyldimonium chloride

$$$$