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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC[NH2+]2)O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)O)O)OC

InChI

InChI=1S/C17H19NO4/c1-21-15-4-3-11(8-16(15)22-2)17-12-9-14(20)13(19)7-10(12)5-6-18-17/h3-4,7-9,17-20H,5-6H2,1-2H3/p+1/t17-/m1/s1