4-methoxy-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium; methyl sulfate

Systemtic Name: 4-methoxy-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium; methyl sulfate Openeye Name: 4-methoxy-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium; methyl sulfate CAS Name: 4-methoxy-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium; methyl sulfate IUPAC Name: 4-methoxy-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium; methyl sulfate Traditional Name: 4-methoxy-6-methyl-[1,3]dioxol[4,5-g]isoquinolin-6-ium; methyl sulfate Formula: C13H15NO7S MolecularWeight: 329.3257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C3=C(C=C2C=C1)OCO3)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=C(C3=C(C=C2C=C1)OCO3)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H12NO3.CH4O4S/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;1-5-6(2,3)4/h3-6H,7H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1