1-(4-bromophenyl)-2-(3-chloranyl-1,2-dihydroisoquinolin-2-ium-2-yl)ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-(3-chloranyl-1,2-dihydroisoquinolin-2-ium-2-yl)ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-(3-chloro-1,2-dihydroisoquinolin-2-ium-2-yl)ethanone bromide CAS Name: 1-(4-bromophenyl)-2-(3-chloro-1,2-dihydroisoquinolin-2-ium-2-yl)ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(3-chloro-1,2-dihydroisoquinolin-2-ium-2-yl)ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-(3-chloro-1,2-dihydroisoquinolin-2-ium-2-yl)ethanone bromide Formula: C17H14Br2ClNO MolecularWeight: 443.56016

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C=C([NH+]1CC(=O)C3=CC=C(C=C3)Br)Cl.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C=C([NH+]1CC(=O)C3=CC=C(C=C3)Br)Cl.[Br-]

InChI

InChI=1S/C17H13BrClNO.BrH/c18-15-7-5-12(6-8-15)16(21)11-20-10-14-4-2-1-3-13(14)9-17(20)19;/h1-9H,10-11H2;1H