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

Systemtic Name: 2-[(2,6-diethylphenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(2,6-diethylanilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(2,6-diethylanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(2,6-diethylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(2,6-diethylanilino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C25H23IN2O2 MolecularWeight: 510.36679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O2.HI/c1-3-17-11-10-12-18(4-2)21(17)26-22-23(27-15-8-5-9-16-27)25(29)20-14-7-6-13-19(20)24(22)28;/h5-16H,3-4H2,1-2H3;1H