(E)-1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)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-(2,6,6-trimethylcyclohex-2-en-1-yl)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-(2,6,6-trimethylcyclohex-2-en-1-yl)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-(2,6,6-trimethyl-1-cyclohex-2-enyl)-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-(2,6,6-trimethylcyclohex-2-en-1-yl)but-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-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one iodide Formula: C26H36INO4 MolecularWeight: 553.47281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1C=CC(=O)CC2C3=C(C4=C(C=C3CC[N+]2(C)C)OCO4)OC)(C)C.[I-]

Isomeric SMILES

CC1=CCCC(C1/C=C/C(=O)CC2C3=C(C4=C(C=C3CC[N+]2(C)C)OCO4)OC)(C)C.[I-]

InChI

InChI=1S/C26H36NO4.HI/c1-17-8-7-12-26(2,3)20(17)10-9-19(28)15-21-23-18(11-13-27(21,4)5)14-22-24(25(23)29-6)31-16-30-22;/h8-10,14,20-21H,7,11-13,15-16H2,1-6H3;1H/q+1;/p-1/b10-9+;