2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(2-methyl-6-propan-2-yl-phenyl)amino]naphthalene-1,4-dione iodide

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(2-methyl-6-propan-2-yl-phenyl)amino]naphthalene-1,4-dione iodide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-isopropyl-6-methyl-anilino)naphthalene-1,4-dione iodide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3-(2-methyl-6-propan-2-ylanilino)naphthalene-1,4-dione iodide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-methyl-6-propan-2-ylanilino)naphthalene-1,4-dione iodide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-isopropyl-6-methyl-anilino)-1,4-naphthoquinone iodide Formula: C27H27IN2O2 MolecularWeight: 538.41995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C.[I-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C.[I-]

InChI

InChI=1S/C27H26N2O2.HI/c1-16(2)20-12-8-9-19(5)23(20)28-24-25(29-14-17(3)13-18(4)15-29)27(31)22-11-7-6-10-21(22)26(24)30;/h6-16H,1-5H3;1H