2-(1,3-benzodioxol-5-yl)-2-(pyridin-1-ium-1-ylmethyl)indene-1,3-dione iodide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(pyridin-1-ium-1-ylmethyl)indene-1,3-dione iodide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(pyridin-1-ium-1-ylmethyl)indane-1,3-dione iodide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(1-pyridin-1-iumylmethyl)indene-1,3-dione iodide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(pyridin-1-ium-1-ylmethyl)indene-1,3-dione iodide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(pyridin-1-ium-1-ylmethyl)indane-1,3-quinone iodide Formula: C22H16INO4 MolecularWeight: 485.27121

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3(C(=O)C4=CC=CC=C4C3=O)C[N+]5=CC=CC=C5.[I-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3(C(=O)C4=CC=CC=C4C3=O)C[N+]5=CC=CC=C5.[I-]

InChI

InChI=1S/C22H16NO4.HI/c24-20-16-6-2-3-7-17(16)21(25)22(20,13-23-10-4-1-5-11-23)15-8-9-18-19(12-15)27-14-26-18;/h1-12H,13-14H2;1H/q+1;/p-1