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

Systemtic Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-3-phenyl-propan-2-ol iodide Openeye Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-3-phenyl-propan-2-ol iodide CAS Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-3-phenyl-2-propanol iodide IUPAC Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-3-phenylpropan-2-ol iodide Traditional Name: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl)-3-phenyl-propan-2-ol iodide Formula: C22H28INO4 MolecularWeight: 497.36649

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC3=C(C(=C2C1CC(CC4=CC=CC=C4)O)OC)OCO3)C.[I-]

Isomeric SMILES

C[N+]1(CCC2=CC3=C(C(=C2C1CC(CC4=CC=CC=C4)O)OC)OCO3)C.[I-]

InChI

InChI=1S/C22H28NO4.HI/c1-23(2)10-9-16-12-19-21(27-14-26-19)22(25-3)20(16)18(23)13-17(24)11-15-7-5-4-6-8-15;/h4-8,12,17-18,24H,9-11,13-14H2,1-3H3;1H/q+1;/p-1