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

Systemtic Name: 2-[(2-methyl-6-propan-2-yl-phenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(2-isopropyl-6-methyl-anilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(2-methyl-6-propan-2-ylanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(2-methyl-6-propan-2-ylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(2-isopropyl-6-methyl-anilino)-3-(4-methylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C26H25IN2O2 MolecularWeight: 524.39337

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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=C(C=CC=C4C(C)C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O2.HI/c1-16(2)19-11-7-8-18(4)22(19)27-23-24(28-14-12-17(3)13-15-28)26(30)21-10-6-5-9-20(21)25(23)29;/h5-16H,1-4H3;1H