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

Systemtic Name: (E)-1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-phenyl-but-3-en-2-one iodide Openeye Name: (E)-1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-phenyl-but-3-en-2-one iodide CAS Name: (E)-1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-phenyl-3-buten-2-one iodide IUPAC Name: (E)-1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-phenylbut-3-en-2-one iodide Traditional Name: (E)-1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl)-4-phenyl-but-3-en-2-one iodide Formula: C23H26INO4 MolecularWeight: 507.36131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26NO4.HI/c1-24(2)12-11-17-13-20-22(28-15-27-20)23(26-3)21(17)19(24)14-18(25)10-9-16-7-5-4-6-8-16;/h4-10,13,19H,11-12,14-15H2,1-3H3;1H/q+1;/p-1/b10-9+;