8,9-dimethoxy-3-methyl-benzo[f]isoquinolin-3-ium; methyl sulfate

Systemtic Name: 8,9-dimethoxy-3-methyl-benzo[f]isoquinolin-3-ium; methyl sulfate Openeye Name: 8,9-dimethoxy-3-methyl-benzo[f]isoquinolin-3-ium; methyl sulfate CAS Name: 8,9-dimethoxy-3-methylbenzo[f]isoquinolin-3-ium; methyl sulfate IUPAC Name: 8,9-dimethoxy-3-methylbenzo[f]isoquinolin-3-ium; methyl sulfate Traditional Name: 8,9-dimethoxy-3-methyl-benz[f]isoquinolin-3-ium; methyl sulfate Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)OC)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)OC)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H16NO2.CH4O4S/c1-17-7-6-13-12(10-17)5-4-11-8-15(18-2)16(19-3)9-14(11)13;1-5-6(2,3)4/h4-10H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1