6-methoxy-2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 6-methoxy-2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 7-benzyloxy-1-isobutyl-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 6-methoxy-2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 6-methoxy-2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 7-benzoxy-1-isobutyl-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C22H28INO2 MolecularWeight: 465.36769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](CCC2=CC(=C(C=C21)OCC3=CC=CC=C3)OC)C.[I-]

Isomeric SMILES

CC(C)CC1=[N+](CCC2=CC(=C(C=C21)OCC3=CC=CC=C3)OC)C.[I-]

InChI

InChI=1S/C22H28NO2.HI/c1-16(2)12-20-19-14-22(25-15-17-8-6-5-7-9-17)21(24-4)13-18(19)10-11-23(20)3;/h5-9,13-14,16H,10-12,15H2,1-4H3;1H/q+1;/p-1