1-[3,4-bis(fluoranyl)phenyl]-2-isoquinolin-2-ium-2-yl-ethanone

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-(3,4-difluorophenyl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(3,4-difluorophenyl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(3,4-difluorophenyl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(3,4-difluorophenyl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C17H12F2NO+ MolecularWeight: 284.280086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F2NO/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/q+1