1-[[3,4-bis(oxidanyl)phenyl]methyl]-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one hydrobromide

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one hydrobromide Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one hydrobromide CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one hydrobromide IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one hydrobromide Traditional Name: 7-hydroxy-1-protocatechuyl-3,4-dihydro-2H-isoquinolin-6-one hydrobromide Formula: C16H16BrNO4 MolecularWeight: 366.20654

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C2C1=CC(=O)C(=C2)O)CC3=CC(=C(C=C3)O)O.Br

Isomeric SMILES

C1CNC(=C2C1=CC(=O)C(=C2)O)CC3=CC(=C(C=C3)O)O.Br

InChI

InChI=1S/C16H15NO4.BrH/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12;/h1-2,6-8,17-19,21H,3-5H2;1H