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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C(=O)C[N+]4=CC=CC5=CC=CC=C54.[I-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C(=O)C[N+]4=CC=CC5=CC=CC=C54.[I-]

InChI

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