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

Systemtic Name: (1R)-1-(3-ethoxy-4-oxidanyl-phenyl)-6-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate Openeye Name: (1R)-1-(3-ethoxy-4-hydroxy-phenyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate CAS Name: (1R)-1-(3-ethoxy-4-hydroxyphenyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate IUPAC Name: (1R)-1-(3-ethoxy-4-hydroxyphenyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate Traditional Name: (1R)-1-(3-ethoxy-4-hydroxy-phenyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=CC(=C(C=C3CC[NH2+]2)O)[O-])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)O)[O-])O

InChI

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