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

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(2-ethyl-6-methyl-anilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(2-ethyl-6-methylanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(2-ethyl-6-methylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(2-ethyl-6-methyl-anilino)-3-pyridin-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=CC(=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4)C.[I-]

Isomeric SMILES

CCC1=CC=CC(=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4)C.[I-]

InChI

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