-OEChem-01131113473D

 10  9  0     0  0  0  0  0  0999 V2000
    0.7031   -0.4947    1.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1923   -2.5254    0.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    2.0799   -0.1665 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0050    1.6412    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778    0.1183   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -1.8319    1.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8114    1.5616   -1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4323    3.5480   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732    1.5690    0.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5867   -2.4681    2.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
590084

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
10017763

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-(acetyloxy)-N,N,N-trimethylethanaminium
66-23-9
InChI=1/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+
ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-

> <PUBCHEM_GENERIC_REGISTRY_NAME>
66-23-9

> <PUBCHEM_XREF_EXT_ID>
10017763

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nmrshiftdb.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/10017763

> <PUBCHEM_CID_ASSOCIATIONS>
187  1

> <PUBCHEM_CONFORMER_ID>
0009010400030001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$