(1R)-1-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (1R)-1-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1R)-1-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1R)-1-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1R)-1-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1R)-1-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C17H20NO4+ MolecularWeight: 302.345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C3=CC(=C(C=C3CC[NH2+]2)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H]2C3=CC(=C(C=C3CC[NH2+]2)O)O

InChI

InChI=1S/C17H19NO4/c1-21-15-5-3-4-11(17(15)22-2)16-12-9-14(20)13(19)8-10(12)6-7-18-16/h3-5,8-9,16,18-20H,6-7H2,1-2H3/p+1/t16-/m0/s1