2-isoquinolin-2-ium-2-yl-1-phenanthren-3-yl-ethanone iodide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-phenanthren-3-yl-ethanone iodide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(3-phenanthryl)ethanone iodide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(3-phenanthrenyl)ethanone iodide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-phenanthren-3-ylethanone iodide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(3-phenanthryl)ethanone iodide Formula: C25H18INO MolecularWeight: 475.32099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC4=C(C=CC5=CC=CC=C54)C=C3.[I-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC4=C(C=CC5=CC=CC=C54)C=C3.[I-]

InChI

InChI=1S/C25H18NO.HI/c27-25(17-26-14-13-18-5-1-2-7-22(18)16-26)21-12-11-20-10-9-19-6-3-4-8-23(19)24(20)15-21;/h1-16H,17H2;1H/q+1;/p-1