Compound C18H21BrClNO2

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

CAS: 31772-98-2

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	354.0

Chemical Identifiers

CAS Number	31772-98-2
SMILES	`COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=CC=C3Cl)OC.[Br-]`
InChIKey	`HYGJFMSGALYTQA-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H21BrClNO2 (CAS: 31772-98-2) is a chemical compound with molecular formula C18H21BrClNO2 and molecular weight 398.7 g/mol. Its IUPAC systematic name is 2-[(2-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 354.0 InChI Key: HYGJFMSGALYTQA-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=CC=C3Cl)OC.[Br-].

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