2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-12-amine iodide

Systemtic Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-12-amine iodide Openeye Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-12-amine iodide CAS Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-12-amine iodide IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-12-amine iodide Traditional Name: (2,3,9,10-tetramethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-12-yl)amine iodide Formula: C21H23IN2O4 MolecularWeight: 496.315332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C(=CC(=C(C4=C3)OC)OC)N)OC.[I-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C(=CC(=C(C4=[14CH]3)OC)OC)N)OC.[I-]

InChI

InChI=1S/C21H23N2O4.HI/c1-24-18-7-12-5-6-23-11-15-14(8-17(23)13(12)9-19(18)25-2)16(22)10-20(26-3)21(15)27-4;/h7-11H,5-6,22H2,1-4H3;1H/q+1;/p-1/i11+2;