1-(3-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanone

Systemtic Name: 1-(3-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-(3-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(3-bromophenyl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(3-bromophenyl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(3-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C17H13BrNO+ MolecularWeight: 327.19522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrNO/c18-16-7-3-6-14(10-16)17(20)12-19-9-8-13-4-1-2-5-15(13)11-19/h1-11H,12H2/q+1