2-(3,4-dimethoxyphenyl)-2-(pyridin-1-ium-1-ylmethyl)indene-1,3-dione iodide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-(pyridin-1-ium-1-ylmethyl)indene-1,3-dione iodide Openeye Name: 2-(3,4-dimethoxyphenyl)-2-(pyridin-1-ium-1-ylmethyl)indane-1,3-dione iodide CAS Name: 2-(3,4-dimethoxyphenyl)-2-(1-pyridin-1-iumylmethyl)indene-1,3-dione iodide IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-(pyridin-1-ium-1-ylmethyl)indene-1,3-dione iodide Traditional Name: 2-(3,4-dimethoxyphenyl)-2-(pyridin-1-ium-1-ylmethyl)indane-1,3-quinone iodide Formula: C23H20INO4 MolecularWeight: 501.31367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)C[N+]4=CC=CC=C4)OC.[I-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)C[N+]4=CC=CC=C4)OC.[I-]

InChI

InChI=1S/C23H20NO4.HI/c1-27-19-11-10-16(14-20(19)28-2)23(15-24-12-6-3-7-13-24)21(25)17-8-4-5-9-18(17)22(23)26;/h3-14H,15H2,1-2H3;1H/q+1;/p-1