2-(2-methylpyridin-1-ium-1-yl)-1-phenanthren-2-yl-ethanone bromide

Systemtic Name: 2-(2-methylpyridin-1-ium-1-yl)-1-phenanthren-2-yl-ethanone bromide Openeye Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(2-phenanthryl)ethanone bromide CAS Name: 2-(2-methyl-1-pyridin-1-iumyl)-1-(2-phenanthrenyl)ethanone bromide IUPAC Name: 2-(2-methylpyridin-1-ium-1-yl)-1-phenanthren-2-ylethanone bromide Traditional Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(2-phenanthryl)ethanone bromide Formula: C22H18BrNO MolecularWeight: 392.28842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3.[Br-]

InChI

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