bmse000168 Acetylcholine at BMRB

Acetylcholine

Acetylcholine

2-(Acetyloxy)-N,N,N-trimethylethanaminium

Ach

Choline acetate (ester)

Acetyl choline cation

Choline acetate

(2-Acetoxyethyl)trimethylammonium

Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- (9CI)

Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-

ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-

2-(acetyloxy)-N,N,N-trimethylethanaminium

InCHi String:
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1

canonical and isomeric SMILES:
CC(=O)OCC[N+](C)(C)C

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
2-acetyloxyethyl(trimethyl)azanium

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
2-acetoxyethyl(trimethyl)ammonium

PUBCHEM iupac CAS NAME
2-acetyloxyethyl(trimethyl)ammonium

PubChem Substance (SID):   85164991   590084   36538549
PubChem Compound (CID):   187
KEGG: Compound ID   C01996
CAS Registry IDs:   66-23-9   51-84-3
PDB Chemical Component   ACH
Miscellaneous Databases and IDs:   ChemSpider 13871862   EINECS 200-128-9   NMRShiftDB 10017763   BioCyc ACETYLCHOLINE   Beilstein Handbook Reference 4-04-00-01446   ChemIDplus 000051843

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.