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

Systemtic Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; methyl sulfate Openeye Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; methyl sulfate CAS Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methylisoquinolin-2-ium; methyl sulfate IUPAC Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methylisoquinolin-2-ium; methyl sulfate Traditional Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium; methyl sulfate Formula: C19H19Cl2NO6S MolecularWeight: 460.32826

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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;/p-1