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

Systemtic Name: 2,3-dimethoxy-7-phenethyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium bromide Openeye Name: 2,3-dimethoxy-7-phenethyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium bromide CAS Name: 2,3-dimethoxy-7-phenethyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium bromide IUPAC Name: 2,3-dimethoxy-7-phenethyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium bromide Traditional Name: 2,3-dimethoxy-7-phenethyl-6,8,9,13b-tetrahydro-5H-isoquinolin[1,2-a]isoquinolin-7-ium bromide Formula: C27H30BrNO2 MolecularWeight: 480.4366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3C4=CC=CC=C4CC[N+]3(CCC2=C1)CCC5=CC=CC=C5)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C3C4=CC=CC=C4CC[N+]3(CCC2=C1)CCC5=CC=CC=C5)OC.[Br-]

InChI

InChI=1S/C27H30NO2.BrH/c1-29-25-18-22-14-17-28(15-12-20-8-4-3-5-9-20)16-13-21-10-6-7-11-23(21)27(28)24(22)19-26(25)30-2;/h3-11,18-19,27H,12-17H2,1-2H3;1H/q+1;/p-1