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

Systemtic Name: 2-[(3,5-dimethylphenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(3,5-dimethylanilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(3,5-dimethylanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(3,5-dimethylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(3,5-dimethylanilino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C23H19IN2O2 MolecularWeight: 482.31363

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O2.HI/c1-15-12-16(2)14-17(13-15)24-20-21(25-10-6-3-7-11-25)23(27)19-9-5-4-8-18(19)22(20)26;/h3-14H,1-2H3;1H