2-(7-methoxy-2-methyl-8-oxidanyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanenitrile iodide

Systemtic Name: 2-(7-methoxy-2-methyl-8-oxidanyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanenitrile iodide Openeye Name: 2-(8-hydroxy-7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetonitrile iodide CAS Name: 2-(8-hydroxy-7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetonitrile iodide IUPAC Name: 2-(8-hydroxy-7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetonitrile iodide Traditional Name: 2-(8-hydroxy-7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetonitrile iodide Formula: C19H21IN2O2 MolecularWeight: 436.28671

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(C2=C(C1)C(=C(C=C2)OC)O)C3=CC=CC=C3)CC#N.[I-]

Isomeric SMILES

C[N+]1(CC(C2=C(C1)C(=C(C=C2)OC)O)C3=CC=CC=C3)CC#N.[I-]

InChI

InChI=1S/C19H20N2O2.HI/c1-21(11-10-20)12-16(14-6-4-3-5-7-14)15-8-9-18(23-2)19(22)17(15)13-21;/h3-9,16H,11-13H2,1-2H3;1H