DTXSID80954537

4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide

CAS: 32872-00-7

Molecular Formula	`C18H17BrClNO2`
Molecular Weight	394.7 g/mol
Topological Polar Surface Area	32.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	393.01312
Heavy Atoms	23
Complexity	346.0

Chemical Identifiers

CAS Number	32872-00-7
SMILES	`COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC=C(C=C3)Cl)OC.[Br-]`
InChIKey	`LZLBVYNYYWAWKE-UHFFFAOYSA-N`

📖 Product Overview

DTXSID80954537 (CAS: 32872-00-7) is a chemical compound with molecular formula C18H17BrClNO2 and molecular weight 394.7 g/mol. Its IUPAC systematic name is 4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide. Topological Polar Surface Area 32.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 393.01312 Heavy Atoms 23 Complexity 346.0 InChI Key: LZLBVYNYYWAWKE-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC=C(C=C3)Cl)OC.[Br-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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