3-(1-methylpyridin-1-ium-4-yl)-1,5-diphenyl-pentane-1,5-dione iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-4-yl)-1,5-diphenyl-pentane-1,5-dione iodide Openeye Name: 3-(1-methylpyridin-1-ium-4-yl)-1,5-diphenyl-pentane-1,5-dione iodide CAS Name: 3-(1-methyl-4-pyridin-1-iumyl)-1,5-diphenylpentane-1,5-dione iodide IUPAC Name: 3-(1-methylpyridin-1-ium-4-yl)-1,5-diphenylpentane-1,5-dione iodide Traditional Name: 3-(1-methylpyridin-1-ium-4-yl)-1,5-diphenyl-pentane-1,5-dione iodide Formula: C23H22INO2 MolecularWeight: 471.33075

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H22NO2.HI/c1-24-14-12-18(13-15-24)21(16-22(25)19-8-4-2-5-9-19)17-23(26)20-10-6-3-7-11-20;/h2-15,21H,16-17H2,1H3;1H/q+1;/p-1