3-(3-benzoylpiperidin-1-ium-1-yl)propyl benzoate chloride

CAS: 33422-61-6

Molecular Formula	`C22H26ClNO3`
Molecular Weight	387.9 g/mol
Topological Polar Surface Area	47.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	387.16013
Heavy Atoms	27
Complexity	452.0

Chemical Identifiers

CAS Number	33422-61-6
SMILES	`C1CC(C[NH+](C1)CCCOC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-]`
InChIKey	`CHJDWIRVYZLHNF-UHFFFAOYSA-N`

📖 Product Overview

3-(3-benzoylpiperidin-1-ium-1-yl)propyl benzoate chloride (CAS: 33422-61-6) is a chemical compound with molecular formula C22H26ClNO3 and molecular weight 387.9 g/mol. Its IUPAC systematic name is 3-(3-benzoylpiperidin-1-ium-1-yl)propyl benzoate chloride. Topological Polar Surface Area 47.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 387.16013 Heavy Atoms 27 Complexity 452.0 InChI Key: CHJDWIRVYZLHNF-UHFFFAOYSA-N. SMILES: C1CC(C[NH+](C1)CCCOC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-].

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