7-methoxy-1-methylsulfanyl-3,4-dihydroisoquinolin-2-ium; sulfurofluoridic acid

Systemtic Name: 7-methoxy-1-methylsulfanyl-3,4-dihydroisoquinolin-2-ium; sulfurofluoridic acid Openeye Name: 7-methoxy-1-methylsulfanyl-3,4-dihydroisoquinolin-2-ium; sulfurofluoridic acid CAS Name: 7-methoxy-1-(methylthio)-3,4-dihydroisoquinolin-2-ium; sulfurofluoridic acid IUPAC Name: 7-methoxy-1-methylsulfanyl-3,4-dihydroisoquinolin-2-ium; sulfurofluoridic acid Traditional Name: 7-methoxy-1-(methylthio)-3,4-dihydroisoquinolin-2-ium; sulfurofluoridic acid Formula: C11H15FNO4S2+ MolecularWeight: 308.369503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC[NH+]=C2SC)C=C1.OS(=O)(=O)F

Isomeric SMILES

COC1=CC2=C(CC[NH+]=C2SC)C=C1.OS(=O)(=O)F

InChI

InChI=1S/C11H13NOS.FHO3S/c1-13-9-4-3-8-5-6-12-11(14-2)10(8)7-9;1-5(2,3)4/h3-4,7H,5-6H2,1-2H3;(H,2,3,4)/p+1