Compound C20H24ClNO4S

6-methyl-5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

CAS: 20884-96-2

Molecular Formula	`C20H24ClNO4S`
Molecular Weight	409.9 g/mol
Topological Polar Surface Area	65.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	409.11145
Heavy Atoms	27
Complexity	593.0

Chemical Identifiers

CAS Number	20884-96-2
SMILES	`CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC4=C(C=C3CC[NH+]2C)OCO4.[Cl-]`
InChIKey	`UVRFRNVXHPQSKC-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H24ClNO4S (CAS: 20884-96-2) is a chemical compound with molecular formula C20H24ClNO4S and molecular weight 409.9 g/mol. Its IUPAC systematic name is 6-methyl-5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride. Topological Polar Surface Area 65.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 409.11145 Heavy Atoms 27 Complexity 593.0 InChI Key: UVRFRNVXHPQSKC-UHFFFAOYSA-N. SMILES: CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC4=C(C=C3CC[NH+]2C)OCO4.[Cl-].

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