(1S)-1-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (1S)-1-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1S)-1-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1S)-1-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1S)-1-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1S)-1-(2,5-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=CC(=C(C=C1)OC)C2C3=CC(=C(C=C3CC[NH2+]2)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-21-11-3-4-16(22-2)13(8-11)17-12-9-15(20)14(19)7-10(12)5-6-18-17/h3-4,7-9,17-20H,5-6H2,1-2H3/p+1/t17-/m0/s1