2-[(4-ethylphenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide

Systemtic Name: 2-[(4-ethylphenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(4-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(4-ethylanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(4-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(4-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C24H21IN2O2 MolecularWeight: 496.34021

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[I-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[I-]

InChI

InChI=1S/C24H20N2O2.HI/c1-3-17-8-10-18(11-9-17)25-21-22(26-14-12-16(2)13-15-26)24(28)20-7-5-4-6-19(20)23(21)27;/h4-15H,3H2,1-2H3;1H