2-(3-methylpyridin-1-ium-1-yl)-1-phenanthren-2-yl-ethanone iodide

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-1-phenanthren-2-yl-ethanone iodide Openeye Name: 2-(3-methylpyridin-1-ium-1-yl)-1-(2-phenanthryl)ethanone iodide CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)-1-(2-phenanthrenyl)ethanone iodide IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)-1-phenanthren-2-ylethanone iodide Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)-1-(2-phenanthryl)ethanone iodide Formula: C22H18INO MolecularWeight: 439.28889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3.[I-]

Isomeric SMILES

CC1=C[N+](=CC=C1)CC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3.[I-]

InChI

InChI=1S/C22H18NO.HI/c1-16-5-4-12-23(14-16)15-22(24)19-10-11-21-18(13-19)9-8-17-6-2-3-7-20(17)21;/h2-14H,15H2,1H3;1H/q+1;/p-1