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

Systemtic Name: 2-chloranyl-3-[(1-methylpyridin-1-ium-3-yl)methylamino]naphthalene-1,4-dione iodide Openeye Name: 2-chloro-3-[(1-methylpyridin-1-ium-3-yl)methylamino]naphthalene-1,4-dione iodide CAS Name: 2-chloro-3-[(1-methyl-3-pyridin-1-iumyl)methylamino]naphthalene-1,4-dione iodide IUPAC Name: 2-chloro-3-[(1-methylpyridin-1-ium-3-yl)methylamino]naphthalene-1,4-dione iodide Traditional Name: 2-chloro-3-[(1-methylpyridin-1-ium-3-yl)methylamino]-1,4-naphthoquinone iodide Formula: C17H14ClIN2O2 MolecularWeight: 440.66273

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CNC2=C(C(=O)C3=CC=CC=C3C2=O)Cl.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)CNC2=C(C(=O)C3=CC=CC=C3C2=O)Cl.[I-]

InChI

InChI=1S/C17H13ClN2O2.HI/c1-20-8-4-5-11(10-20)9-19-15-14(18)16(21)12-6-2-3-7-13(12)17(15)22;/h2-8,10H,9H2,1H3;1H