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

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(3-chloro-2-methyl-anilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(3-chloro-2-methylanilino)-3-(3,5-dimethyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(3-chloro-2-methylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(3-chloro-2-methyl-anilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C24H20ClIN2O2 MolecularWeight: 530.78527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=C(C(=CC=C4)Cl)C)C.[I-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=C(C(=CC=C4)Cl)C)C.[I-]

InChI

InChI=1S/C24H19ClN2O2.HI/c1-14-11-15(2)13-27(12-14)22-21(26-20-10-6-9-19(25)16(20)3)23(28)17-7-4-5-8-18(17)24(22)29;/h4-13H,1-3H3;1H