2-[(2-ethyl-6-methyl-phenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(2-ethyl-6-methyl-anilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(2-ethyl-6-methylanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(2-ethyl-6-methylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(2-ethyl-6-methyl-anilino)-3-(4-methylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C25H23IN2O2 MolecularWeight: 510.36679

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C)C.[I-]

Isomeric SMILES

CCC1=CC=CC(=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C)C.[I-]

InChI

InChI=1S/C25H22N2O2.HI/c1-4-18-9-7-8-17(3)21(18)26-22-23(27-14-12-16(2)13-15-27)25(29)20-11-6-5-10-19(20)24(22)28;/h5-15H,4H2,1-3H3;1H