2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,4,5,6,7,11b-hexahydrobenzo[a]quinolizin-5-ium dibromide

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,4,5,6,7,11b-hexahydrobenzo[a]quinolizin-5-ium dibromide Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,4,5,6,7,11b-hexahydrobenzo[a]quinolizin-5-ium dibromide CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,4,5,6,7,11b-hexahydrobenzo[a]quinolizin-5-ium dibromide IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,4,5,6,7,11b-hexahydrobenzo[a]quinolizin-5-ium dibromide Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]-3-ethyl-9,10-dimethoxy-1,4,5,6,7,11b-hexahydrobenzo[a]quinolizin-5-ium dibromide Formula: C29H40Br2N2O4 MolecularWeight: 640.4469

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC2C3=CC(=C(C=C3CC[NH+]2C1)OC)OC)CC4C5=CC(=C(C=C5CC[NH2+]4)OC)OC.[Br-].[Br-]

Isomeric SMILES

CCC1=C(CC2C3=CC(=C(C=C3CC[NH+]2C1)OC)OC)CC4C5=CC(=C(C=C5CC[NH2+]4)OC)OC.[Br-].[Br-]

InChI

InChI=1S/C29H38N2O4.2BrH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,24-25,30H,6-12,17H2,1-5H3;2*1H