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

Systemtic Name: 2-[(2-methylphenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(2-methylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(2-methylanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(2-methylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)-3-(o-toluidino)-1,4-naphthoquinone iodide Formula: C23H19IN2O2 MolecularWeight: 482.31363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4C.[I-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4C.[I-]

InChI

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