2-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3-bromo-4-fluoro-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(3-bromo-4-fluoro-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H16BrFN+ MolecularWeight: 321.207343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=C(C=C3)F)Br

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C16H15BrFN/c17-15-9-12(5-6-16(15)18)10-19-8-7-13-3-1-2-4-14(13)11-19/h1-6,9H,7-8,10-11H2/p+1