2-(3,5-dimethylpyridin-1-ium-1-yl)-3-phenylazanyl-naphthalene-1,4-dione iodide

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-phenylazanyl-naphthalene-1,4-dione iodide Openeye Name: 2-anilino-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-anilino-3-(3,5-dimethyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-anilino-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-anilino-3-(3,5-dimethylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C23H19IN2O2 MolecularWeight: 482.31363

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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=CC=CC=C4)C.[I-]

Isomeric SMILES

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

InChI

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