4-(2-ethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)cyclohexan-1-one iodide

Systemtic Name: 4-(2-ethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)cyclohexan-1-one iodide Openeye Name: 4-(2-ethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)cyclohexanone iodide CAS Name: 4-(2-ethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)-1-cyclohexanone iodide IUPAC Name: 4-(2-ethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)cyclohexan-1-one iodide Traditional Name: 4-(2-ethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)cyclohexanone iodide Formula: C19H26INO3 MolecularWeight: 443.31911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C3CCC(=O)CC3.[I-]

Isomeric SMILES

CC[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C3CCC(=O)CC3.[I-]

InChI

InChI=1S/C19H26NO3.HI/c1-4-20-10-9-14-11-17(22-2)18(23-3)12-16(14)19(20)13-5-7-15(21)8-6-13;/h11-13H,4-10H2,1-3H3;1H/q+1;/p-1