2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-5,6-diol; N-methylcarbamate; iodide

Systemtic Name: 2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-5,6-diol; N-methylcarbamate; iodide Openeye Name: 2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-5,6-diol; N-methylcarbamate; iodide CAS Name: 2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-5,6-diol; N-methylcarbamate; iodide IUPAC Name: 2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-5,6-diol; N-methylcarbamate; iodide Traditional Name: 2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-5,6-diol; N-methylcarbamate; iodide Formula: C15H24IN3O6-2 MolecularWeight: 469.27203

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)[O-].CNC(=O)[O-].C[N+]1(CCC2=C(C1)C=CC(=C2O)O)C.[I-]

Isomeric SMILES

CNC(=O)[O-].CNC(=O)[O-].C[N+]1(CCC2=C(C1)C=CC(=C2O)O)C.[I-]

InChI

InChI=1S/C11H15NO2.2C2H5NO2.HI/c1-12(2)6-5-9-8(7-12)3-4-10(13)11(9)14;2*1-3-2(4)5;/h3-4H,5-7H2,1-2H3,(H-,13,14);2*3H,1H3,(H,4,5);1H/p-2