methyl 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)ethanoate iodide

Systemtic Name: methyl 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)ethanoate iodide Openeye Name: methyl 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)acetate iodide CAS Name: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)acetic acid methyl ester iodide IUPAC Name: methyl 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)acetate iodide Traditional Name: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)acetic acid methyl ester iodide Formula: C16H22INO4 MolecularWeight: 419.25465

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C=[N+]1CC(=O)OC)OC)OC)C.[I-]

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C=[N+]1CC(=O)OC)OC)OC)C.[I-]

InChI

InChI=1S/C16H22NO4.HI/c1-16(2)8-11-6-13(19-3)14(20-4)7-12(11)9-17(16)10-15(18)21-5;/h6-7,9H,8,10H2,1-5H3;1H/q+1;/p-1