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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(3-chloro-4-methoxy-anilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(3-chloro-4-methoxyanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(3-chloro-4-methoxyanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(3-chloro-4-methoxy-anilino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C22H16ClIN2O3 MolecularWeight: 518.73151

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4)Cl.[I-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4)Cl.[I-]

InChI

InChI=1S/C22H15ClN2O3.HI/c1-28-18-10-9-14(13-17(18)23)24-19-20(25-11-5-2-6-12-25)22(27)16-8-4-3-7-15(16)21(19)26;/h2-13H,1H3;1H