[4-(Benzoyl)-1-methylpiperidin-1-ium-3-yl]2-bromobenzoate chloride

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Catalog Number
ACM33422503
Product Name
[4-(Benzoyl)-1-methylpiperidin-1-ium-3-yl]2-bromobenzoate chloride
Structure
Structure
CAS
33422-50-3
Category
Heterocyclic Organic Compound
Synonyms
CID36466, LS-36221, (+-)-1-Methyl-3-benzoyl-3-(o-bromobenzoyloxy)piperidine hydrochloride, Benzoic acid, o-bromo-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-, BENZOIC ACID, o-BROMO-, ESTER with 3-HYDROXY-1-METHYL-3-PIPERIDYL PHENYL KETONE,, 33422-50-3
IUPAC Name
(4-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-bromobenzoate chloride
Molecular Weight
438.743 g/mol
Molecular Formula
C20H21BrClNO3
Canonical SMILES
C[NH+]1CCC(C(C1)OC(=O)C2=CC=CC=C2Br)C(=O)C3=CC=CC=C3.[Cl-]
InChI Key
IAMKWJSQXNEBGU-UHFFFAOYSA-N
Boiling Point
488.6ºC at 760 mmHg
Flash Point
249.3ºC
Exact Mass
437.03900
H-Bond Acceptor
4
H-Bond Donor
1
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