10,11-dimethoxy-3-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride

Systemtic Name: 10,11-dimethoxy-3-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 3-benzyloxy-10,11-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 10,11-dimethoxy-3-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 10,11-dimethoxy-3-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 3-benzoxy-10,11-dimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C26H24ClNO3 MolecularWeight: 433.92666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+]3CCC4=C(C3=CC2=C1)C=CC(=C4)OCC5=CC=CC=C5)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C=[N+]3CCC4=C(C3=CC2=C1)C=CC(=C4)OCC5=CC=CC=C5)OC.[Cl-]

InChI

InChI=1S/C26H24NO3.ClH/c1-28-25-14-20-13-24-23-9-8-22(30-17-18-6-4-3-5-7-18)12-19(23)10-11-27(24)16-21(20)15-26(25)29-2;/h3-9,12-16H,10-11,17H2,1-2H3;1H/q+1;/p-1