2-isoquinolin-2-ium-2-yl-3,4-dihydro-2H-phenanthren-1-one iodide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-3,4-dihydro-2H-phenanthren-1-one iodide Openeye Name: 2-isoquinolin-2-ium-2-yl-3,4-dihydro-2H-phenanthren-1-one iodide CAS Name: 2-(2-isoquinolin-2-iumyl)-3,4-dihydro-2H-phenanthren-1-one iodide IUPAC Name: 2-isoquinolin-2-ium-2-yl-3,4-dihydro-2H-phenanthren-1-one iodide Traditional Name: 2-isoquinolin-2-ium-2-yl-3,4-dihydro-2H-phenanthren-1-one iodide Formula: C23H18INO MolecularWeight: 451.29959

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC3=CC=CC=C23)C(=O)C1[N+]4=CC5=CC=CC=C5C=C4.[I-]

Isomeric SMILES

C1CC2=C(C=CC3=CC=CC=C23)C(=O)C1[N+]4=CC5=CC=CC=C5C=C4.[I-]

InChI

InChI=1S/C23H18NO.HI/c25-23-21-10-9-17-6-3-4-8-19(17)20(21)11-12-22(23)24-14-13-16-5-1-2-7-18(16)15-24;/h1-10,13-15,22H,11-12H2;1H/q+1;/p-1