2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide

CAS: 31756-22-6

Molecular Formula	`C18H21BrClNO2`
Molecular Weight	398.7 g/mol
Topological Polar Surface Area	22.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	397.04443
Heavy Atoms	23
Complexity	346.0

Chemical Identifiers

CAS Number	31756-22-6
SMILES	`COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)Cl)OC.[Br-]`
InChIKey	`NDQAOFWLHHEYAJ-UHFFFAOYSA-N`

📖 Product Overview

2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide (CAS: 31756-22-6) is a chemical compound with molecular formula C18H21BrClNO2 and molecular weight 398.7 g/mol. Its IUPAC systematic name is 2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide. Topological Polar Surface Area 22.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 397.04443 Heavy Atoms 23 Complexity 346.0 InChI Key: NDQAOFWLHHEYAJ-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C[NH+](CCC2=C1)CC3=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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📚 Academic Support

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