2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone iodide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone iodide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone iodide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-phenylethanone iodide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-phenylethanone iodide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone iodide Formula: C17H14INO MolecularWeight: 375.20363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[I-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[I-]

InChI

InChI=1S/C17H14NO.HI/c19-17(15-7-2-1-3-8-15)13-18-11-10-14-6-4-5-9-16(14)12-18;/h1-12H,13H2;1H/q+1;/p-1