1-(2,2-diphenylethenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-(2,2-diphenylethenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-(2,2-diphenylvinyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-(2,2-diphenylethenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-(2,2-diphenylethenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 1-(2,2-diphenylvinyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C26H26INO2 MolecularWeight: 511.39461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C=C(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C=C(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C26H26NO2.HI/c1-27-15-14-21-16-25(28-2)26(29-3)18-23(21)24(27)17-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,16-18H,14-15H2,1-3H3;1H/q+1;/p-1