2-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)propane-1,3-diol iodide

Systemtic Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)propane-1,3-diol iodide Openeye Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)propane-1,3-diol iodide CAS Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)propane-1,3-diol iodide IUPAC Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)propane-1,3-diol iodide Traditional Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)propane-1,3-diol iodide Formula: C15H22INO4 MolecularWeight: 407.24395

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C(CO)CO.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C(CO)CO.[I-]

InChI

InChI=1S/C15H22NO4.HI/c1-16-5-4-10-6-13(19-2)14(20-3)7-12(10)15(16)11(8-17)9-18;/h6-7,11,17-18H,4-5,8-9H2,1-3H3;1H/q+1;/p-1