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

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(4-ethoxyphenyl)amino]naphthalene-1,4-dione iodide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)naphthalene-1,4-dione iodide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3-(4-ethoxyanilino)naphthalene-1,4-dione iodide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(4-ethoxyanilino)naphthalene-1,4-dione iodide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(p-phenetidino)-1,4-naphthoquinone iodide Formula: C25H23IN2O3 MolecularWeight: 526.36619

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C.[I-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C.[I-]

InChI

InChI=1S/C25H22N2O3.HI/c1-4-30-19-11-9-18(10-12-19)26-22-23(27-14-16(2)13-17(3)15-27)25(29)21-8-6-5-7-20(21)24(22)28;/h5-15H,4H2,1-3H3;1H