Synonyms
2-(Benzoyloxy)-N,N,N-trimethylethan-1-aminium bromide; 2-benzoyloxyethyl(trimethyl)azanium,bromide; AKOS015833010; 24943-60-0; Benzoylcholine Bromide; MFCD00059969; 2-(Benzoyloxy)-N,N,N-trimethylethanaminium bromide; CTK0I7096; BenzoylcholineBromide;
IUPAC Name
2-benzoyloxyethyl(trimethyl)azanium;bromide;
Molecular Weight
288.18
Molecular Formula
C12H18BrNO2
Canonical SMILES
C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Br-];
InChI
InChI=1S/C12H18NO2.BrH/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1;
InChI Key
UOWKZCQHFFILJX-UHFFFAOYSA-M;
Purity
>98.0%(T)
Complexity
202
Covalently-Bonded Unit Count
2
Exact Mass
287.052g/mol
H-Bond Acceptor
3
Heavy Atom Count
16
Monoisotopic Mass
287.052g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
26.3A^2
