3,9,10-trimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium bromide

Systemtic Name: 3,9,10-trimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium bromide Openeye Name: 3,9,10-trimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium bromide CAS Name: 3,9,10-trimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium bromide IUPAC Name: 3,9,10-trimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium bromide Traditional Name: 3,9,10-trimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinolin-7-ium bromide Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC3=C(C1CC4=C(C2)C(=C(C=C4)OC)OC)C=CC(=C3)OC.[Br-]

Isomeric SMILES

C[N+]12CCC3=C(C1CC4=C(C2)C(=C(C=C4)OC)OC)C=CC(=C3)OC.[Br-]

InChI

InChI=1S/C21H26NO3.BrH/c1-22-10-9-15-11-16(23-2)6-7-17(15)19(22)12-14-5-8-20(24-3)21(25-4)18(14)13-22;/h5-8,11,19H,9-10,12-13H2,1-4H3;1H/q+1;/p-1