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

Systemtic Name: 2-[(2-chlorophenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(2-chloroanilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(2-chloroanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(2-chloroanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(2-chloroanilino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C21H14ClIN2O2 MolecularWeight: 488.70553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4Cl.[I-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4Cl.[I-]

InChI

InChI=1S/C21H13ClN2O2.HI/c22-16-10-4-5-11-17(16)23-18-19(24-12-6-1-7-13-24)21(26)15-9-3-2-8-14(15)20(18)25;/h1-13H;1H