(1S,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol

Systemtic Name: (1S,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol Openeye Name: (1S,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol CAS Name: (1S,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol IUPAC Name: (1S,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol Traditional Name: (1S,2R)-6-methoxy-2-methyl-2-oxido-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol Formula: C20H25NO5 MolecularWeight: 359.4162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)O)OC)[O-]

Isomeric SMILES

C[N@+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)O)OC)[O-]

InChI

InChI=1S/C20H25NO5/c1-21(23)8-7-14-11-19(25-3)17(22)12-15(14)16(21)9-13-5-6-18(24-2)20(10-13)26-4/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-,21+/m0/s1