6,7-dimethoxy-2-methyl-3-phenyl-isoquinolin-2-ium; methyl sulfate

Systemtic Name: 6,7-dimethoxy-2-methyl-3-phenyl-isoquinolin-2-ium; methyl sulfate Openeye Name: 6,7-dimethoxy-2-methyl-3-phenyl-isoquinolin-2-ium; methyl sulfate CAS Name: 6,7-dimethoxy-2-methyl-3-phenylisoquinolin-2-ium; methyl sulfate IUPAC Name: 6,7-dimethoxy-2-methyl-3-phenylisoquinolin-2-ium; methyl sulfate Traditional Name: 6,7-dimethoxy-2-methyl-3-phenyl-isoquinolin-2-ium; methyl sulfate Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C=C1C3=CC=CC=C3)OC)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C=C1C3=CC=CC=C3)OC)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H18NO2.CH4O4S/c1-19-12-15-11-18(21-3)17(20-2)10-14(15)9-16(19)13-7-5-4-6-8-13;1-5-6(2,3)4/h4-12H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1