2,9,10-trimethoxy-3-octoxy-8-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride

Systemtic Name: 2,9,10-trimethoxy-3-octoxy-8-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 2,9,10-trimethoxy-3-octoxy-8-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 2,9,10-trimethoxy-3-octoxy-8-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 2,9,10-trimethoxy-3-octoxy-8-octyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 2,9,10-trimethoxy-3-octoxy-8-octyl-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C36H52ClNO4 MolecularWeight: 598.25538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=CC3=[N+]1CCC4=CC(=C(C=C43)OC)OCCCCCCCC)C=CC(=C2OC)OC.[Cl-]

Isomeric SMILES

CCCCCCCCC1=C2C(=CC3=[N+]1CCC4=CC(=C(C=C43)OC)OCCCCCCCC)C=CC(=C2OC)OC.[Cl-]

InChI

InChI=1S/C36H52NO4.ClH/c1-6-8-10-12-14-16-18-30-35-28(19-20-32(38-3)36(35)40-5)24-31-29-26-33(39-4)34(25-27(29)21-22-37(30)31)41-23-17-15-13-11-9-7-2;/h19-20,24-26H,6-18,21-23H2,1-5H3;1H/q+1;/p-1