2-[1-methyl-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-2-yl]-1-phenyl-ethanone iodide

Systemtic Name: 2-[1-methyl-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-2-yl]-1-phenyl-ethanone iodide Openeye Name: 2-[1-methyl-6-[2-oxo-2-(p-tolyl)ethyl]pyridin-1-ium-2-yl]-1-phenyl-ethanone iodide CAS Name: 2-[1-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]-2-pyridin-1-iumyl]-1-phenylethanone iodide IUPAC Name: 2-[1-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium-2-yl]-1-phenylethanone iodide Traditional Name: 2-[6-[2-keto-2-(p-tolyl)ethyl]-1-methyl-pyridin-1-ium-2-yl]-1-phenyl-ethanone iodide Formula: C23H22INO2 MolecularWeight: 471.33075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC2=CC=CC(=[N+]2C)CC(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC2=CC=CC(=[N+]2C)CC(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H22NO2.HI/c1-17-11-13-19(14-12-17)23(26)16-21-10-6-9-20(24(21)2)15-22(25)18-7-4-3-5-8-18;/h3-14H,15-16H2,1-2H3;1H/q+1;/p-1