4-(8-oxidanyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide

Systemtic Name: 4-(8-oxidanyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide Openeye Name: 4-(8-hydroxy-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide CAS Name: 4-(8-hydroxy-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide IUPAC Name: 4-(8-hydroxy-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide Traditional Name: 4-(8-hydroxy-1,2,3,4-tetrahydroisoquinolin-4-yl)pyrocatechol hydrate hydrobromide Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(CN1)C(=CC=C2)O)C3=CC(=C(C=C3)O)O.O.Br

Isomeric SMILES

C1C(C2=C(CN1)C(=CC=C2)O)C3=CC(=C(C=C3)O)O.O.Br

InChI

InChI=1S/C15H15NO3.BrH.H2O/c17-13-3-1-2-10-11(7-16-8-12(10)13)9-4-5-14(18)15(19)6-9;;/h1-6,11,16-19H,7-8H2;1H;1H2