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

Systemtic Name: (3,4-dimethoxyphenyl)-(7-methoxy-2-methyl-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Openeye Name: (6-benzyloxy-7-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)-(3,4-dimethoxyphenyl)methanone iodide CAS Name: (3,4-dimethoxyphenyl)-(7-methoxy-2-methyl-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide IUPAC Name: (3,4-dimethoxyphenyl)-(7-methoxy-2-methyl-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Traditional Name: (6-benzoxy-7-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)-(3,4-dimethoxyphenyl)methanone iodide Formula: C27H28INO5 MolecularWeight: 573.41939

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OCC3=CC=CC=C3)OC)C(=O)C4=CC(=C(C=C4)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OCC3=CC=CC=C3)OC)C(=O)C4=CC(=C(C=C4)OC)OC.[I-]

InChI

InChI=1S/C27H28NO5.HI/c1-28-13-12-19-14-25(33-17-18-8-6-5-7-9-18)24(32-4)16-21(19)26(28)27(29)20-10-11-22(30-2)23(15-20)31-3;/h5-11,14-16H,12-13,17H2,1-4H3;1H/q+1;/p-1