7,8-dimethoxy-1,2,2-trimethyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 7,8-dimethoxy-1,2,2-trimethyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 6-benzyloxy-7,8-dimethoxy-1,2,2-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 7,8-dimethoxy-1,2,2-trimethyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 7,8-dimethoxy-1,2,2-trimethyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 6-benzoxy-7,8-dimethoxy-1,2,2-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C21H28INO3 MolecularWeight: 469.35639

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=C(C=C2CC[N+]1(C)C)OCC3=CC=CC=C3)OC)OC.[I-]

Isomeric SMILES

CC1C2=C(C(=C(C=C2CC[N+]1(C)C)OCC3=CC=CC=C3)OC)OC.[I-]

InChI

InChI=1S/C21H28NO3.HI/c1-15-19-17(11-12-22(15,2)3)13-18(20(23-4)21(19)24-5)25-14-16-9-7-6-8-10-16;/h6-10,13,15H,11-12,14H2,1-5H3;1H/q+1;/p-1