Compound C18H21BrFNO2

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

CAS: 31756-26-0

Molecular Formula	`C18H21BrFNO2`
Molecular Weight	382.3 g/mol
Topological Polar Surface Area	22.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	381.07397
Heavy Atoms	23
Complexity	354.0

Chemical Identifiers

CAS Number	31756-26-0
SMILES	`COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=CC=C3)F)OC.[Br-]`
InChIKey	`BTHUYFLICGHYRQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H21BrFNO2 (CAS: 31756-26-0) is a chemical compound with molecular formula C18H21BrFNO2 and molecular weight 382.3 g/mol. Its IUPAC systematic name is 2-[(3-fluorophenyl)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 4 Rotatable Bonds 4 Exact Mass 381.07397 Heavy Atoms 23 Complexity 354.0 InChI Key: BTHUYFLICGHYRQ-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=CC=C3)F)OC.[Br-].

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