2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(2-ethyl-6-methyl-phenyl)amino]naphthalene-1,4-dione iodide

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(2-ethyl-6-methyl-phenyl)amino]naphthalene-1,4-dione iodide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethyl-6-methyl-anilino)naphthalene-1,4-dione iodide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3-(2-ethyl-6-methylanilino)naphthalene-1,4-dione iodide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethyl-6-methylanilino)naphthalene-1,4-dione iodide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethyl-6-methyl-anilino)-1,4-naphthoquinone iodide Formula: C26H25IN2O2 MolecularWeight: 524.39337

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C)C.[I-]

Isomeric SMILES

CCC1=CC=CC(=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C)C.[I-]

InChI

InChI=1S/C26H24N2O2.HI/c1-5-19-10-8-9-18(4)22(19)27-23-24(28-14-16(2)13-17(3)15-28)26(30)21-12-7-6-11-20(21)25(23)29;/h6-15H,5H2,1-4H3;1H