Compound C21H25NO7S

4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate

CAS: 61189-93-3

Molecular Formula	`C21H25NO7S`
Molecular Weight	435.5 g/mol
Topological Polar Surface Area	117.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	435.13516
Heavy Atoms	30
Complexity	486.0

Chemical Identifiers

CAS Number	61189-93-3
SMILES	`COC1=C(C=C(C=C1)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC)OC.CS(=O)(=O)[O-]`
InChIKey	`AAHDTBUXPGQCEJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H25NO7S (CAS: 61189-93-3) is a chemical compound with molecular formula C21H25NO7S and molecular weight 435.5 g/mol. Its IUPAC systematic name is 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate. Topological Polar Surface Area 117.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 435.13516 Heavy Atoms 30 Complexity 486.0 InChI Key: AAHDTBUXPGQCEJ-UHFFFAOYSA-N. SMILES: COC1=C(C=C(C=C1)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC)OC.CS(=O)(=O)[O-].

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