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

Systemtic Name: 2-[(2-fluorophenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(2-fluoroanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(2-fluoroanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(2-fluoroanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(2-fluoroanilino)-3-(4-methylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C22H16FIN2O2 MolecularWeight: 486.277513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15FN2O2.HI/c1-14-10-12-25(13-11-14)20-19(24-18-9-5-4-8-17(18)23)21(26)15-6-2-3-7-16(15)22(20)27;/h2-13H,1H3;1H