4-[[2-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol iodide

Systemtic Name: 4-[[2-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol iodide Openeye Name: 4-[[2-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol iodide CAS Name: 4-[[2-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol iodide IUPAC Name: 4-[[2-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol iodide Traditional Name: 4-[[2-(4-hydroxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol iodide Formula: C26H30INO4 MolecularWeight: 547.42517

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC)CC4=CC=C(C=C4)O.[I-]

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC)CC4=CC=C(C=C4)O.[I-]

InChI

InChI=1S/C26H29NO4.HI/c1-27(17-19-6-10-22(29)11-7-19)13-12-20-15-25(30-2)26(31-3)16-23(20)24(27)14-18-4-8-21(28)9-5-18;/h4-11,15-16,24H,12-14,17H2,1-3H3,(H-,28,29);1H