1-(1-methylpyridin-1-ium-3-yl)-3-phenyl-propane-1,3-dione iodide

Systemtic Name: 1-(1-methylpyridin-1-ium-3-yl)-3-phenyl-propane-1,3-dione iodide Openeye Name: 1-(1-methylpyridin-1-ium-3-yl)-3-phenyl-propane-1,3-dione iodide CAS Name: 1-(1-methyl-3-pyridin-1-iumyl)-3-phenylpropane-1,3-dione iodide IUPAC Name: 1-(1-methylpyridin-1-ium-3-yl)-3-phenylpropane-1,3-dione iodide Traditional Name: 1-(1-methylpyridin-1-ium-3-yl)-3-phenyl-propane-1,3-dione iodide Formula: C15H14INO2 MolecularWeight: 367.18163

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)CC(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)CC(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C15H14NO2.HI/c1-16-9-5-8-13(11-16)15(18)10-14(17)12-6-3-2-4-7-12;/h2-9,11H,10H2,1H3;1H/q+1;/p-1