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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C.[I-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C.[I-]

InChI

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