1-(4-bromophenyl)-2-(3-methylisoquinolin-2-ium-2-yl)ethanone iodide

Systemtic Name: 1-(4-bromophenyl)-2-(3-methylisoquinolin-2-ium-2-yl)ethanone iodide Openeye Name: 1-(4-bromophenyl)-2-(3-methylisoquinolin-2-ium-2-yl)ethanone iodide CAS Name: 1-(4-bromophenyl)-2-(3-methyl-2-isoquinolin-2-iumyl)ethanone iodide IUPAC Name: 1-(4-bromophenyl)-2-(3-methylisoquinolin-2-ium-2-yl)ethanone iodide Traditional Name: 1-(4-bromophenyl)-2-(3-methylisoquinolin-2-ium-2-yl)ethanone iodide Formula: C18H15BrINO MolecularWeight: 468.12627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=C(C=C3)Br.[I-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=C(C=C3)Br.[I-]

InChI

InChI=1S/C18H15BrNO.HI/c1-13-10-15-4-2-3-5-16(15)11-20(13)12-18(21)14-6-8-17(19)9-7-14;/h2-11H,12H2,1H3;1H/q+1;/p-1