Compound C23H29ClFNOS

9-[3-(4-fluorophenyl)sulfanylpropyl]-3-phenoxy-9-azoniabicyclo[3.3.1]nonane chloride

CAS: 102585-84-2

Molecular Formula	`C23H29ClFNOS`
Molecular Weight	422.0 g/mol
Topological Polar Surface Area	39.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	421.16425
Heavy Atoms	28
Complexity	422.0

Chemical Identifiers

CAS Number	102585-84-2
SMILES	`C1CC2CC(CC(C1)[NH+]2CCCSC3=CC=C(C=C3)F)OC4=CC=CC=C4.[Cl-]`
InChIKey	`ZCTRYSJRFNJTEG-UHFFFAOYSA-N`

📖 Product Overview

Compound C23H29ClFNOS (CAS: 102585-84-2) is a chemical compound with molecular formula C23H29ClFNOS and molecular weight 422.0 g/mol. Its IUPAC systematic name is 9-[3-(4-fluorophenyl)sulfanylpropyl]-3-phenoxy-9-azoniabicyclo[3.3.1]nonane chloride. Topological Polar Surface Area 39.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 421.16425 Heavy Atoms 28 Complexity 422.0 InChI Key: ZCTRYSJRFNJTEG-UHFFFAOYSA-N. SMILES: C1CC2CC(CC(C1)[NH+]2CCCSC3=CC=C(C=C3)F)OC4=CC=CC=C4.[Cl-].

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