3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; methyl hydrogen sulfate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; methyl hydrogen sulfate Openeye Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; methyl hydrogen sulfate CAS Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methylisoquinolin-2-ium; sulfuric acid methyl ester IUPAC Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methylisoquinolin-2-ium; methyl hydrogen sulfate Traditional Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; sulfuric acid methyl ester Formula: C21H26NO8S+ MolecularWeight: 452.49804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22NO4.CH4O4S/c1-21-12-15-11-20(25-5)19(24-4)10-14(15)8-16(21)13-6-7-17(22-2)18(9-13)23-3;1-5-6(2,3)4/h6-12H,1-5H3;1H3,(H,2,3,4)/q+1;