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

Systemtic Name: 2-[(3,4-dichlorophenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(3,4-dichloroanilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(3,4-dichloroanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(3,4-dichloroanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(3,4-dichloroanilino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C21H13Cl2IN2O2 MolecularWeight: 523.15059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4)Cl)Cl.[I-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4)Cl)Cl.[I-]

InChI

InChI=1S/C21H12Cl2N2O2.HI/c22-16-9-8-13(12-17(16)23)24-18-19(25-10-4-1-5-11-25)21(27)15-7-3-2-6-14(15)20(18)26;/h1-12H;1H