(2,3,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-yl) ethanoate iodide

Systemtic Name: (2,3,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-yl) ethanoate iodide Openeye Name: (2,3,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-yl) acetate iodide CAS Name: acetic acid (2,3,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-yl) ester iodide IUPAC Name: (2,3,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-yl) acetate iodide Traditional Name: acetic acid (2,3,11-trimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-10-yl) ester iodide Formula: C22H22INO5 MolecularWeight: 507.31825

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C=C3C4=CC(=C(C=C4CC[N+]3=CC2=C1)OC)OC)OC.[I-]

Isomeric SMILES

CC(=O)OC1=C(C=C2C=C3C4=CC(=C(C=C4CC[N+]3=CC2=C1)OC)OC)OC.[I-]

InChI

InChI=1S/C22H22NO5.HI/c1-13(24)28-22-10-16-12-23-6-5-14-8-19(25-2)21(27-4)11-17(14)18(23)7-15(16)9-20(22)26-3;/h7-12H,5-6H2,1-4H3;1H/q+1;/p-1