(13aS)-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-7-ium iodide

Systemtic Name: (13aS)-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-7-ium iodide Openeye Name: (13aS)-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-7-ium iodide CAS Name: (13aS)-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-7-ium iodide IUPAC Name: (13aS)-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-7-ium iodide Traditional Name: (13aS)-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinolin-7-ium iodide Formula: C21H24INO4 MolecularWeight: 481.32403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CC3C4=CC(=C(C=C4CC[N+]3=C2)OC)OC)C=C1)OC.[I-]

Isomeric SMILES

COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CC[N+]3=C2)OC)OC)C=C1)OC.[I-]

InChI

InChI=1S/C21H24NO4.HI/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,10-12,17H,7-9H2,1-4H3;1H/q+1;/p-1/t17-;/m0./s1