-OEChem-01131113472D

 10  9  0     0  0  0  0  0  0999 V2000
   -0.8759   -0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    0.0828    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5483   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.3379    0.0000 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>
148633

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000051843

> <PUBCHEM_SUBSTANCE_COMMENT>
Drug / Therapeutic Agent
Vasodilator agents
Cardiovascular Agents
Cholinergic Agents
Neurotransmitter Agents

> <PUBCHEM_SUBSTANCE_SYNONYM>
(2-Acetoxyethyl)trimethylammonium
2-(Acetyloxy)-N,N,N-trimethylethanaminium
2260-50-6 (iodide)
4-04-00-01446 (Beilstein Handbook Reference)
51-84-3
60-31-1 (chloride)
66-23-9 (bromide)
927-86-6 (perchlorate)
ACh
Acetyl choline cation
Acetyl choline ion
Acetylcholine
Acetylcholinum
BRN 1764436
Choline acetate
Choline acetate (ester)
EINECS 200-128-9
Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-
Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- (9CI)
UNII-N9YNS0M02X

> <PUBCHEM_GENERIC_REGISTRY_NAME>
51-84-3

> <PUBCHEM_XREF_EXT_ID>
000051843

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000051843

> <PUBCHEM_CID_ASSOCIATIONS>
187  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$