(4-methoxyphenyl)-(5,6,7-trimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methanone iodide

Systemtic Name: (4-methoxyphenyl)-(5,6,7-trimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methanone iodide Openeye Name: (4-methoxyphenyl)-(5,6,7-trimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methanone iodide CAS Name: (4-methoxyphenyl)-(5,6,7-trimethoxy-2-methyl-1-isoquinolin-2-iumyl)methanone iodide IUPAC Name: (4-methoxyphenyl)-(5,6,7-trimethoxy-2-methylisoquinolin-2-ium-1-yl)methanone iodide Traditional Name: (4-methoxyphenyl)-(5,6,7-trimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methanone iodide Formula: C21H22INO5 MolecularWeight: 495.30755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO5.HI/c1-22-11-10-15-16(12-17(25-3)21(27-5)20(15)26-4)18(22)19(23)13-6-8-14(24-2)9-7-13;/h6-12H,1-5H3;1H/q+1;/p-1