Mrv1572004221604082D          

 19 17  0  0  0  0            999 V2000
   -5.8745    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5406   -0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7156    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1601   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4456    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7311   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0167    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3022   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2702    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6991    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4136   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1281    0.1375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1997    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18  2  1  0  0  0  0
 18  3  1  0  0  0  0
 18  4  1  0  0  0  0
 18 17  1  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
> <DATABASE_ID>
CHEM012417

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].CCCCCCCCCCCCCC[N+](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1

> <INCHI_KEY>
CEYYIKYYFSTQRU-UHFFFAOYSA-M

> <FORMULA>
C17H38ClN

> <MOLECULAR_WEIGHT>
291.95

> <EXACT_MASS>
291.2692779

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
36.782720313145774

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
trimethyl(tetradecyl)azanium chloride

> <ALOGPS_LOGP>
1.10

> <JCHEM_LOGP>
1.7974185138615872

> <ALOGPS_LOGS>
-7.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
95.78529999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.35e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trimethyl(tetradecyl)azanium chloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
1-Tetradecanaminium, N,N,N-trimethyl-, chloride

> <CAS>
4574-04-3

> <SYNONYMS>
Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride; trimethyl(tetradecyl)azanium chloride

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