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

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(3-chloro-2-methyl-anilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(3-chloro-2-methylanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(3-chloro-2-methylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(3-chloro-2-methyl-anilino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C22H16ClIN2O2 MolecularWeight: 502.73211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H15ClN2O2.HI/c1-14-17(23)10-7-11-18(14)24-19-20(25-12-5-2-6-13-25)22(27)16-9-4-3-8-15(16)21(19)26;/h2-13H,1H3;1H