1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1H-isoquinoline trihydrate hydrobromide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1H-isoquinoline trihydrate hydrobromide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1H-isoquinoline trihydrate hydrobromide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1H-isoquinoline trihydrate hydrobromide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1H-isoquinoline trihydrate hydrobromide Traditional Name: 6,7-dimethoxy-2-methyl-1-veratryl-1H-isoquinoline trihydrate hydrobromide Formula: C21H32BrNO7 MolecularWeight: 490.38528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC.O.O.O.Br

Isomeric SMILES

CN1C=CC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC.O.O.O.Br

InChI

InChI=1S/C21H25NO4.BrH.3H2O/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3;;;;/h6-9,11-13,17H,10H2,1-5H3;1H;3*1H2