13-butyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Systemtic Name: 13-butyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 13-butyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 13-butyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 13-butyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 13-butyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium Formula: C25H30NO4+ MolecularWeight: 408.51

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC

Isomeric SMILES

CCCCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC

InChI

InChI=1S/C25H30NO4/c1-6-7-8-18-17-9-10-21(27-2)25(30-5)20(17)15-26-12-11-16-13-22(28-3)23(29-4)14-19(16)24(18)26/h9-10,13-15H,6-8,11-12H2,1-5H3/q+1