2,3,9,10-tetramethoxy-13-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide

Systemtic Name: 2,3,9,10-tetramethoxy-13-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide Openeye Name: 2,3,9,10-tetramethoxy-13-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide CAS Name: 2,3,9,10-tetramethoxy-13-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide IUPAC Name: 2,3,9,10-tetramethoxy-13-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide Traditional Name: 2,3,9,10-tetramethoxy-13-octyl-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium iodide Formula: C29H38INO4 MolecularWeight: 591.52079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC.[I-]

Isomeric SMILES

CCCCCCCCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC.[I-]

InChI

InChI=1S/C29H38NO4.HI/c1-6-7-8-9-10-11-12-22-21-13-14-25(31-2)29(34-5)24(21)19-30-16-15-20-17-26(32-3)27(33-4)18-23(20)28(22)30;/h13-14,17-19H,6-12,15-16H2,1-5H3;1H/q+1;/p-1