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

Systemtic Name: 2-[(3,5-dimethylphenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(3,5-dimethylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(3,5-dimethylanilino)-3-(3,5-dimethyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(3,5-dimethylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(3,5-dimethylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C25H23IN2O2 MolecularWeight: 510.36679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O2.HI/c1-15-9-16(2)12-19(11-15)26-22-23(27-13-17(3)10-18(4)14-27)25(29)21-8-6-5-7-20(21)24(22)28;/h5-14H,1-4H3;1H