3-ethoxy-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol bromide

Systemtic Name: 3-ethoxy-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol bromide Openeye Name: 3-ethoxy-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol bromide CAS Name: 3-ethoxy-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol bromide IUPAC Name: 3-ethoxy-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol bromide Traditional Name: 3-ethoxy-9,10-dimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-2-ol bromide Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)OC)O.[Br-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)OC)O.[Br-]

InChI

InChI=1S/C21H21NO4.BrH/c1-4-26-20-10-14-7-8-22-12-16-13(5-6-19(24-2)21(16)25-3)9-17(22)15(14)11-18(20)23;/h5-6,9-12H,4,7-8H2,1-3H3;1H