Marvin  12220917122D          

 14 13  0  0  0  0            999 V2000
   14.4288   -9.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7016   -9.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1471   -9.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9855   -9.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8949   -9.3055    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.2788   -9.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6155   -8.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2985  -10.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4800   -8.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5582   -9.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8400   -9.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1286   -9.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3967   -9.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6762   -9.2508    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 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
M  CHG  1   5   1
M  END
> <ID>
CHEBI:55325

> <NAME>
decyltrimethylammonium ion

> <DEFINITION>
A quarternary ammonium cation having one decyl and three methyl substituents around the central nitrogen.

> <STAR>
3

> <SYNONYM>
Trimethyldecylammonium; trimethyl-n-decylammonium; n-decyltrimethylammonium; N,N,N-trimethyl-1-decanaminium; Decyltrimethylammonium

> <IUPAC_NAME>
N,N,N-trimethyldecan-1-aminium

> <FORMULA>
C13H30N

> <MASS>
200.38400

> <MONOISOTOPIC_MASS>
200.23728

> <CHARGE>
1

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

> <INCHI>
InChI=1S/C13H30N/c1-5-6-7-8-9-10-11-12-13-14(2,3)4/h5-13H2,1-4H3/q+1

> <INCHIKEY>
RKMJXTWHATWGNX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1750082

> <CAS_REGISTRY_NUMBER>
15053-09-5

> <REAXYS_REGISTRY_NUMBER>
1750082

> <CHEMIDPLUS>
15053-09-5

> <PUBMED_CITATION>
22364194; 23126472; 3524430

$$$$