-OEChem-01131113502D

 16 16  0     0  0  0  0  0  0999 V2000
    3.2600   -4.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400   -5.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.3000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1500   -5.7600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -4.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2600   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5400   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -6.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
87691541

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20200212

> <PUBCHEM_SUBSTANCE_SYNONYM>
ALWKGYPQUAPLQC-UHFFFAOYSA-
InChI=1/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium bromide
[3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium; sulfonatooxymethane

> <PUBCHEM_XREF_EXT_ID>
20200212

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20200212

> <PUBCHEM_CID_ASSOCIATIONS>
4456  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$