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

Systemtic Name: 9,10-dimethoxy-3-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 3-benzyloxy-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 9,10-dimethoxy-3-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 9,10-dimethoxy-3-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 3-benzoxy-9,10-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(C2=C[N+]3=C(C=C2C=C1)C4=C(CC3)C=C(C=C4)OCC5=CC=CC=C5)OC.[Cl-]

Isomeric SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(CC3)C=C(C=C4)OCC5=CC=CC=C5)OC.[Cl-]

InChI

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