6,7-Dimethoxy-4-(3,4,5-trimethoxybenzyl)isoquinoline methanesulfonate

6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium;methanesulfonate

CAS: 61189-94-4

Molecular Formula	`C22H27NO8S`
Molecular Weight	465.5 g/mol
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	465.14575
Heavy Atoms	32
Complexity	516.0

Chemical Identifiers

CAS Number	61189-94-4
SMILES	`COC1=CC(=CC(=C1OC)OC)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC.CS(=O)(=O)[O-]`
InChIKey	`BFHKEYVSEXRSNV-UHFFFAOYSA-N`

📖 Product Overview

6,7-Dimethoxy-4-(3,4,5-trimethoxybenzyl)isoquinoline methanesulfonate (CAS: 61189-94-4) is a chemical compound with molecular formula C22H27NO8S and molecular weight 465.5 g/mol. Its IUPAC systematic name is 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium;methanesulfonate. Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 465.14575 Heavy Atoms 32 Complexity 516.0 InChI Key: BFHKEYVSEXRSNV-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1OC)OC)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC.CS(=O)(=O)[O-].

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