Compound C16H22ClNOS

4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride

CAS: 21609-71-2

Molecular Formula	`C16H22ClNOS`
Molecular Weight	311.9 g/mol
Topological Polar Surface Area	46.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	311.11105
Heavy Atoms	20
Complexity	314.0

Chemical Identifiers

CAS Number	21609-71-2
SMILES	`C1CC[NH+](CC1)CC2CCSC3=CC=CC=C3C2=O.[Cl-]`
InChIKey	`PWNQUMRGYLJING-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H22ClNOS (CAS: 21609-71-2) is a chemical compound with molecular formula C16H22ClNOS and molecular weight 311.9 g/mol. Its IUPAC systematic name is 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride. Topological Polar Surface Area 46.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 311.11105 Heavy Atoms 20 Complexity 314.0 InChI Key: PWNQUMRGYLJING-UHFFFAOYSA-N. SMILES: C1CC[NH+](CC1)CC2CCSC3=CC=CC=C3C2=O.[Cl-].

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