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

Systemtic Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; methyl hydrogen sulfate Openeye Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; methyl hydrogen sulfate CAS Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methylisoquinolin-2-ium; sulfuric acid methyl ester IUPAC Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methylisoquinolin-2-ium; methyl hydrogen sulfate Traditional Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; sulfuric acid methyl ester Formula: C19H20Cl2NO6S+ MolecularWeight: 461.3362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2NO2.CH4O4S/c1-21-10-13-9-18(23-3)17(22-2)8-12(13)7-16(21)11-4-5-14(19)15(20)6-11;1-5-6(2,3)4/h4-10H,1-3H3;1H3,(H,2,3,4)/q+1;