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Benzoylcholine Chloride

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Catalog Number

ACM2964092

Product Name

Structure

CAS

2964-09-2

Product Overview

Synonyms

[2-(benzoyloxy)ethyl]trimethylazanium chloride; Ethanaminium, 2-(benzyloxy)-N,N,N-trimethyl-, chloride; LS-53193; 2-(Benzyloxy)-N,N,N-trimethylethanaminimum chloride; EINECS 221-000-9; 2-(Benzyloxy)-N,N,N-trimethylethanaminium chloride; ACMC-1CN7W; SCHEMBL2356481; TR-031023; J-017588;

IUPAC Name

2-benzoyloxyethyl(trimethyl)azanium;chloride;

Molecular Weight

243.731g/mol

Molecular Formula

C12H18ClNO2;

Canonical SMILES

C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Cl-];

InChI

InChI=1S/C12H18NO2.ClH/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

QVFHQENRNSAHEK-UHFFFAOYSA-M;

Complexity

202

Covalently-Bonded Unit Count

EC Number

221-000-9

Exact Mass

243.103g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

243.103g/mol

Rotatable Bond Count

Topological Polar Surface Area

26.3A^2

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