methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium

Systemtic Name: methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Openeye Name: methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium IUPAC Name: methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Traditional Name: methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Formula: C14H21NO7S MolecularWeight: 347.38404

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C(=C(C=C2CC1)OC)OC)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=C(C(=C(C=C2CC1)OC)OC)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H18NO3.CH4O4S/c1-14-6-5-9-7-11(15-2)13(17-4)12(16-3)10(9)8-14;1-5-6(2,3)4/h7-8H,5-6H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1