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

Systemtic Name: 6,7-dimethoxy-2-methyl-3-phenyl-isoquinolin-2-ium; methyl hydrogen sulfate Openeye Name: 6,7-dimethoxy-2-methyl-3-phenyl-isoquinolin-2-ium; methyl hydrogen sulfate CAS Name: 6,7-dimethoxy-2-methyl-3-phenylisoquinolin-2-ium; sulfuric acid methyl ester IUPAC Name: 6,7-dimethoxy-2-methyl-3-phenylisoquinolin-2-ium; methyl hydrogen sulfate Traditional Name: 6,7-dimethoxy-2-methyl-3-phenyl-isoquinolin-2-ium; sulfuric acid methyl ester Formula: C19H22NO6S+ MolecularWeight: 392.44608

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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;