2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(2-fluorophenyl)amino]naphthalene-1,4-dione iodide

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(2-fluorophenyl)amino]naphthalene-1,4-dione iodide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-fluoroanilino)naphthalene-1,4-dione iodide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3-(2-fluoroanilino)naphthalene-1,4-dione iodide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-fluoroanilino)naphthalene-1,4-dione iodide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-fluoroanilino)-1,4-naphthoquinone iodide Formula: C23H18FIN2O2 MolecularWeight: 500.304093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4F)C.[I-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4F)C.[I-]

InChI

InChI=1S/C23H17FN2O2.HI/c1-14-11-15(2)13-26(12-14)21-20(25-19-10-6-5-9-18(19)24)22(27)16-7-3-4-8-17(16)23(21)28;/h3-13H,1-2H3;1H