2-phenylazanyl-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide

Systemtic Name: 2-phenylazanyl-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-anilino-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-anilino-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-anilino-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-anilino-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C21H15IN2O2 MolecularWeight: 454.26047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O2.HI/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15;/h1-14H;1H