(1S)-6-methoxy-1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol

Systemtic Name: (1S)-6-methoxy-1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol Openeye Name: (1S)-1-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol CAS Name: (1S)-1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol IUPAC Name: (1S)-1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol Traditional Name: (1S)-1-homovanillyl-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC(=C(C=C2C1CCC3=CC(=C(C=C3)O)OC)O)OC

Isomeric SMILES

C[NH+]1CCC2=CC(=C(C=C2[C@@H]1CCC3=CC(=C(C=C3)O)OC)O)OC

InChI

InChI=1S/C20H25NO4/c1-21-9-8-14-11-20(25-3)18(23)12-15(14)16(21)6-4-13-5-7-17(22)19(10-13)24-2/h5,7,10-12,16,22-23H,4,6,8-9H2,1-3H3/p+1/t16-/m0/s1