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Structure

[3-(Benzoyl)-1-methylpiperidin-1-ium-3-yl]4-amino-2-chlorobenzoatechloride

CAS
33422-58-1
Catalog Number
ACM33422581
Category
Other Products
Molecular Weight
409.306 g/mol
Molecular Formula
C20H22Cl2N2O3

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Specification

Synonyms
CID36468, LS-35715, (+-)-1-Methyl-3-benzoyl-3-(o-chloro-p-aminobenzoyloxy)piperidine hydrochloride, Benzoic acid, 4-amino-2-chloro-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-, BENZOIC ACID, 4-AMINO-2-CHLORO-, ESTER with 3-HYDROXY-1-METHYL-3-PIPERIDYL PHENY, 33422-58-1
IUPAC Name
(3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-amino-2-chlorobenzoate chloride
Canonical SMILES
C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)N)Cl.[Cl-]
InChI Key
MLDRGBDROVDETR-UHFFFAOYSA-N
Boiling Point
545ºC at 760 mmHg
Flash Point
283.4ºC
Exact Mass
408.10100
H-Bond Acceptor
5
H-Bond Donor
2
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