2-[(4-bromophenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide

Systemtic Name: 2-[(4-bromophenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(4-bromoanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(4-bromoanilino)-3-(3,5-dimethyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(4-bromoanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(4-bromoanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C23H18BrIN2O2 MolecularWeight: 561.20969

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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=C(C=C4)Br)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O2.HI/c1-14-11-15(2)13-26(12-14)21-20(25-17-9-7-16(24)8-10-17)22(27)18-5-3-4-6-19(18)23(21)28;/h3-13H,1-2H3;1H