4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-methyl-isoquinolin-2-ium iodide

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-methyl-isoquinolin-2-ium iodide Openeye Name: 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-methyl-isoquinolin-2-ium iodide CAS Name: 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-methylisoquinolin-2-ium iodide IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-methylisoquinolin-2-ium iodide Traditional Name: 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-methyl-isoquinolin-2-ium iodide Formula: C22H26INO4 MolecularWeight: 495.35061

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC(=C(C=C2C(=C1)C3=CC(=C(C=C3)OC)OC)OC)OC)C.[I-]

Isomeric SMILES

CC[N+]1=C(C2=CC(=C(C=C2C(=C1)C3=CC(=C(C=C3)OC)OC)OC)OC)C.[I-]

InChI

InChI=1S/C22H26NO4.HI/c1-7-23-13-18(15-8-9-19(24-3)20(10-15)25-4)17-12-22(27-6)21(26-5)11-16(17)14(23)2;/h8-13H,7H2,1-6H3;1H/q+1;/p-1