10-methoxy-1,2,3,4-tetrapropoxy-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide

Systemtic Name: 10-methoxy-1,2,3,4-tetrapropoxy-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Openeye Name: 10-methoxy-1,2,3,4-tetrapropoxy-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide CAS Name: 10-methoxy-1,2,3,4-tetrapropoxy-9-isoquinolino[2,1-b]isoquinolin-7-iumol bromide IUPAC Name: 10-methoxy-1,2,3,4-tetrapropoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Traditional Name: 10-methoxy-1,2,3,4-tetrapropoxy-isoquinolin[2,1-b]isoquinolin-7-ium-9-ol bromide Formula: C30H38BrNO6 MolecularWeight: 588.52982

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C2=C1C=C[N+]3=C2C=C4C=CC(=C(C4=C3)O)OC)OCCC)OCCC)OCCC.[Br-]

Isomeric SMILES

CCCOC1=C(C(=C(C2=C1C=C[N+]3=C2C=C4C=CC(=C(C4=C3)O)OC)OCCC)OCCC)OCCC.[Br-]

InChI

InChI=1S/C30H37NO6.BrH/c1-6-14-34-27-21-12-13-31-19-22-20(10-11-24(33-5)26(22)32)18-23(31)25(21)28(35-15-7-2)30(37-17-9-4)29(27)36-16-8-3;/h10-13,18-19H,6-9,14-17H2,1-5H3;1H