6,7,8-trimethoxy-2-methyl-1-[5-(6,7,8-trimethoxy-2-methyl-isoquinolin-2-ium-1-yl)pentyl]isoquinolin-2-ium diiodide

Systemtic Name: 6,7,8-trimethoxy-2-methyl-1-[5-(6,7,8-trimethoxy-2-methyl-isoquinolin-2-ium-1-yl)pentyl]isoquinolin-2-ium diiodide Openeye Name: 6,7,8-trimethoxy-2-methyl-1-[5-(6,7,8-trimethoxy-2-methyl-isoquinolin-2-ium-1-yl)pentyl]isoquinolin-2-ium diiodide CAS Name: 6,7,8-trimethoxy-2-methyl-1-[5-(6,7,8-trimethoxy-2-methyl-1-isoquinolin-2-iumyl)pentyl]isoquinolin-2-ium diiodide IUPAC Name: 6,7,8-trimethoxy-2-methyl-1-[5-(6,7,8-trimethoxy-2-methylisoquinolin-2-ium-1-yl)pentyl]isoquinolin-2-ium diiodide Traditional Name: 6,7,8-trimethoxy-2-methyl-1-[5-(6,7,8-trimethoxy-2-methyl-isoquinolin-2-ium-1-yl)pentyl]isoquinolin-2-ium diiodide Formula: C31H40I2N2O6 MolecularWeight: 790.46804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C(=C(C=C2C=C1)OC)OC)OC)CCCCCC3=[N+](C=CC4=CC(=C(C(=C43)OC)OC)OC)C.[I-].[I-]

Isomeric SMILES

C[N+]1=C(C2=C(C(=C(C=C2C=C1)OC)OC)OC)CCCCCC3=[N+](C=CC4=CC(=C(C(=C43)OC)OC)OC)C.[I-].[I-]

InChI

InChI=1S/C31H40N2O6.2HI/c1-32-16-14-20-18-24(34-3)28(36-5)30(38-7)26(20)22(32)12-10-9-11-13-23-27-21(15-17-33(23)2)19-25(35-4)29(37-6)31(27)39-8;;/h14-19H,9-13H2,1-8H3;2*1H/q+2;;/p-2