1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 8-methoxy-2,2-dimethyl-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C21H28INO3 MolecularWeight: 469.35639

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C(=CC=C2)OC)C.[I-]

Isomeric SMILES

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C(=CC=C2)OC)C.[I-]

InChI

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