3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium; methyl sulfate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium; methyl sulfate Openeye Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium; methyl sulfate CAS Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2-dimethylisoquinolin-2-ium; methyl sulfate IUPAC Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2-dimethylisoquinolin-2-ium; methyl sulfate Traditional Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium; methyl sulfate Formula: C22H27NO8S MolecularWeight: 465.51668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C(=CC2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H24NO4.CH4O4S/c1-13-16-12-21(26-6)20(25-5)11-15(16)9-17(22(13)2)14-7-8-18(23-3)19(10-14)24-4;1-5-6(2,3)4/h7-12H,1-6H3;1H3,(H,2,3,4)/q+1;/p-1