9,10-dimethoxy-2,3-bis(phenylmethoxy)-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium bromide

Systemtic Name: 9,10-dimethoxy-2,3-bis(phenylmethoxy)-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium bromide Openeye Name: 2,3-dibenzyloxy-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium bromide CAS Name: 9,10-dimethoxy-2,3-bis(phenylmethoxy)-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium bromide IUPAC Name: 9,10-dimethoxy-2,3-bis(phenylmethoxy)-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium bromide Traditional Name: 2,3-dibenzoxy-9,10-dimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium bromide Formula: C33H30BrNO4 MolecularWeight: 584.4996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC.[Br-]

Isomeric SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC.[Br-]

InChI

InChI=1S/C33H30NO4.BrH/c1-35-30-14-13-25-17-29-27-19-32(38-22-24-11-7-4-8-12-24)31(37-21-23-9-5-3-6-10-23)18-26(27)15-16-34(29)20-28(25)33(30)36-2;/h3-14,17-20H,15-16,21-22H2,1-2H3;1H/q+1;/p-1