1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; sulfuric acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; sulfuric acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; sulfuric acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; sulfuric acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; sulfuric acid Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline; sulfuric acid Formula: C20H23NO8S MolecularWeight: 437.46352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.OS(=O)(=O)O

InChI

InChI=1S/C20H21NO4.H2O4S/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2,3)4/h5-8,10-12H,9H2,1-4H3;(H2,1,2,3,4)