Molecule ID: 6921820

IUPAC Name: (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Description: The molecule is an organic cation that is the conjugate acid of (R)-tetrahydropapaverine, obtained by protonation of the secondary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (R)-tetrahydropapaverine.

SMILES: COc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C@H1][NH2+1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=C][C][=C][Ring2][Ring1][Branch1][O][C]

InChI: InChI=1S/C20H25NO4/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/h5-6,10-12,16,21H,7-9H2,1-4H3/p+1/t16-/m1/s1

Molecular Properties:
- Polar Surface Area: 53.5 Ų
- LogP: 3.2