1-(3,4-dimethoxyphenyl)-2-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)ethanone iodide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)ethanone iodide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)ethanone iodide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)ethanone iodide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)ethanone iodide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl)ethanone iodide Formula: C23H28INO6 MolecularWeight: 541.37599

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC3=C(C(=C2C1CC(=O)C4=CC(=C(C=C4)OC)OC)OC)OCO3)C.[I-]

Isomeric SMILES

C[N+]1(CCC2=CC3=C(C(=C2C1CC(=O)C4=CC(=C(C=C4)OC)OC)OC)OCO3)C.[I-]

InChI

InChI=1S/C23H28NO6.HI/c1-24(2)9-8-15-11-20-22(30-13-29-20)23(28-5)21(15)16(24)12-17(25)14-6-7-18(26-3)19(10-14)27-4;/h6-7,10-11,16H,8-9,12-13H2,1-5H3;1H/q+1;/p-1