1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C22H29BrINO4 MolecularWeight: 578.27843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)OC)OC)C.[I-]

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)OC)OC)C.[I-]

InChI

InChI=1S/C22H29BrNO4.HI/c1-24(2)8-7-14-10-19(25-3)21(27-5)12-16(14)18(24)9-15-11-20(26-4)22(28-6)13-17(15)23;/h10-13,18H,7-9H2,1-6H3;1H/q+1;/p-1