6-[4-(6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)butyl]-6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide

Systemtic Name: 6-[4-(6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)butyl]-6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide Openeye Name: 6-[4-(6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)butyl]-6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide CAS Name: 6-[4-(6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)butyl]-6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide IUPAC Name: 6-[4-(6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)butyl]-6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide Traditional Name: 6-[4-(6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-6-yl)butyl]-6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium diiodide Formula: C28H38I2N2O4 MolecularWeight: 720.42126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC3=C(C=C2C[N+]1(C)CCCC[N+]4(CC5=CC6=C(C=C5CC4C)OCO6)C)OCO3.[I-].[I-]

Isomeric SMILES

CC1CC2=CC3=C(C=C2C[N+]1(C)CCCC[N+]4(CC5=CC6=C(C=C5CC4C)OCO6)C)OCO3.[I-].[I-]

InChI

InChI=1S/C28H38N2O4.2HI/c1-19-9-21-11-25-27(33-17-31-25)13-23(21)15-29(19,3)7-5-6-8-30(4)16-24-14-28-26(32-18-34-28)12-22(24)10-20(30)2;;/h11-14,19-20H,5-10,15-18H2,1-4H3;2*1H/q+2;;/p-2