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

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(4-methylphenyl)amino]naphthalene-1,4-dione iodide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(4-methylanilino)naphthalene-1,4-dione iodide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3-(4-methylanilino)naphthalene-1,4-dione iodide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(4-methylanilino)naphthalene-1,4-dione iodide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(p-toluidino)-1,4-naphthoquinone iodide Formula: C24H21IN2O2 MolecularWeight: 496.34021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C.[I-]

InChI

InChI=1S/C24H20N2O2.HI/c1-15-8-10-18(11-9-15)25-21-22(26-13-16(2)12-17(3)14-26)24(28)20-7-5-4-6-19(20)23(21)27;/h4-14H,1-3H3;1H