(1R)-1-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate

Systemtic Name: (1R)-1-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate Openeye Name: (1R)-6-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate CAS Name: (1R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate IUPAC Name: (1R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate Traditional Name: (1R)-6-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate Formula: C16H17NO4 MolecularWeight: 287.31048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-21-15-7-10(2-3-12(15)18)16-11-8-14(20)13(19)6-9(11)4-5-17-16/h2-3,6-8,16-20H,4-5H2,1H3/t16-/m1/s1