1-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone bromide

Systemtic Name: 1-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone bromide Openeye Name: 1-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone bromide CAS Name: 1-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone bromide IUPAC Name: 1-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone bromide Traditional Name: 1-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone bromide Formula: C17H18BrNO MolecularWeight: 332.23492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H18NO.BrH/c19-17(15-7-2-1-3-8-15)13-18-11-10-14-6-4-5-9-16(14)12-18;/h1-3,7-8,10-12H,4-6,9,13H2;1H/q+1;/p-1