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

Systemtic Name: 2,3-dimethoxy-10-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide Openeye Name: 10-benzyloxy-2,3-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide CAS Name: 2,3-dimethoxy-10-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide IUPAC Name: 2,3-dimethoxy-10-phenylmethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide Traditional Name: 10-benzoxy-2,3-dimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium iodide Formula: C26H24INO3 MolecularWeight: 525.37813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=CC4=C3)OCC5=CC=CC=C5)OC.[I-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=CC4=C3)OCC5=CC=CC=C5)OC.[I-]

InChI

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