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Structure

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

CAS
33422-49-0
Catalog Number
ACM33422490
Category
Other Products
Molecular Weight
394.292 g/mol
Molecular Formula
C20H21Cl2NO3

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Specification

Synonyms
CID36464, LS-36477, (+-)-1-Methyl-3-benzoyl-3-(o-chlorobenzoyloxy)piperidine hydrochloride, Benzoic acid, o-chloro-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone hydrochloride, (+-)-, Benzoic acid, o-chloro-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-, BENZOIC ACID, o-CHLORO-, ESTER with 3-HYDROXY-1-METHYL-3-PIPERIDYL PHENYL KETONE, 33422-49-0
IUPAC Name
(3-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-chlorobenzoate chloride
Canonical SMILES
C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl.[Cl-]
InChI Key
BJMBVJWYWMUVKG-UHFFFAOYSA-N
Boiling Point
473.8ºC at 760 mmHg
Flash Point
240.3ºC
Exact Mass
393.09000
H-Bond Acceptor
4
H-Bond Donor
1
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