1-(3,4-dichlorophenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide

Systemtic Name: 1-(3,4-dichlorophenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Openeye Name: 1-(3,4-dichlorophenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide CAS Name: 1-(3,4-dichlorophenyl)-2-(2-isoquinolin-2-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dichlorophenyl)-2-isoquinolin-2-ium-2-ylethanone bromide Traditional Name: 1-(3,4-dichlorophenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Formula: C17H12BrCl2NO MolecularWeight: 397.09328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

InChI

InChI=1S/C17H12Cl2NO.BrH/c18-15-6-5-13(9-16(15)19)17(21)11-20-8-7-12-3-1-2-4-14(12)10-20;/h1-10H,11H2;1H/q+1;/p-1