3-[2-(2,5-dimethoxyphenyl)ethenyl]-2-methyl-isoquinolin-2-ium iodide

Systemtic Name: 3-[2-(2,5-dimethoxyphenyl)ethenyl]-2-methyl-isoquinolin-2-ium iodide Openeye Name: 3-[2-(2,5-dimethoxyphenyl)vinyl]-2-methyl-isoquinolin-2-ium iodide CAS Name: 3-[2-(2,5-dimethoxyphenyl)ethenyl]-2-methylisoquinolin-2-ium iodide IUPAC Name: 3-[2-(2,5-dimethoxyphenyl)ethenyl]-2-methylisoquinolin-2-ium iodide Traditional Name: 3-[2-(2,5-dimethoxyphenyl)vinyl]-2-methyl-isoquinolin-2-ium iodide Formula: C20H20INO2 MolecularWeight: 433.28277

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C=C1C=CC3=C(C=CC(=C3)OC)OC.[I-]

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C=C1C=CC3=C(C=CC(=C3)OC)OC.[I-]

InChI

InChI=1S/C20H20NO2.HI/c1-21-14-17-7-5-4-6-15(17)12-18(21)9-8-16-13-19(22-2)10-11-20(16)23-3;/h4-14H,1-3H3;1H/q+1;/p-1