Compound C21H28ClNO4S

6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

CAS: 20884-91-7

Molecular Formula	`C21H28ClNO4S`
Molecular Weight	426.0 g/mol
Topological Polar Surface Area	65.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	425.14276
Heavy Atoms	28
Complexity	579.0

Chemical Identifiers

CAS Number	20884-91-7
SMILES	`CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH+]2C)OC)OC.[Cl-]`
InChIKey	`ZBIVDDQUOUICPJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H28ClNO4S (CAS: 20884-91-7) is a chemical compound with molecular formula C21H28ClNO4S and molecular weight 426.0 g/mol. Its IUPAC systematic name is 6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride. Topological Polar Surface Area 65.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 425.14276 Heavy Atoms 28 Complexity 579.0 InChI Key: ZBIVDDQUOUICPJ-UHFFFAOYSA-N. SMILES: CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH+]2C)OC)OC.[Cl-].

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