Compound C20H21NO7S

4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate

CAS: 61189-95-5

Molecular Formula	`C20H21NO7S`
Molecular Weight	419.4 g/mol
Topological Polar Surface Area	117.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	419.10388
Heavy Atoms	29
Complexity	499.0

Chemical Identifiers

CAS Number	61189-95-5
SMILES	`COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC4=C(C=C3)OCO4)OC.CS(=O)(=O)[O-]`
InChIKey	`GDLKKPBIESAWHJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H21NO7S (CAS: 61189-95-5) is a chemical compound with molecular formula C20H21NO7S and molecular weight 419.4 g/mol. Its IUPAC systematic name is 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate. Topological Polar Surface Area 117.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 419.10388 Heavy Atoms 29 Complexity 499.0 InChI Key: GDLKKPBIESAWHJ-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC4=C(C=C3)OCO4)OC.CS(=O)(=O)[O-].

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