1-[2-(3,4-dimethoxy-5-oxidanyl-phenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol chloride

Systemtic Name: 1-[2-(3,4-dimethoxy-5-oxidanyl-phenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol chloride Openeye Name: 1-[2-(3-hydroxy-4,5-dimethoxy-phenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol chloride CAS Name: 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol chloride IUPAC Name: 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol chloride Traditional Name: 1-[2-(3-hydroxy-4,5-dimethoxy-phenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol chloride Formula: C21H26ClNO5 MolecularWeight: 409.880382

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)O)CCC3=CC(=C(C(=C3)OC)OC)O.[Cl-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)O)[14CH2]CC3=CC(=C(C(=C3)OC)OC)O.[Cl-]

InChI

InChI=1S/C21H25NO5.ClH/c1-22-8-7-14-11-19(25-2)17(23)12-15(14)16(22)6-5-13-9-18(24)21(27-4)20(10-13)26-3;/h9-12H,5-8H2,1-4H3,(H-,23,24);1H/i6+2;