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

Systemtic Name: 3,9,10-trimethoxy-2-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 2-benzyloxy-3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 3,9,10-trimethoxy-2-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 3,9,10-trimethoxy-2-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 2-benzoxy-3,9,10-trimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C27H26ClNO4 MolecularWeight: 463.95264

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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)OC)OCC5=CC=CC=C5)OC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H26NO4.ClH/c1-29-24-10-9-19-13-23-21-15-26(32-17-18-7-5-4-6-8-18)25(30-2)14-20(21)11-12-28(23)16-22(19)27(24)31-3;/h4-10,13-16H,11-12,17H2,1-3H3;1H/q+1;/p-1