[2-[6,7-bis(oxidanyl)-3,4-dihydroisoquinolin-2-ium-1-yl]-4-oxidanyl-phenyl]azanium dibromide

Systemtic Name: [2-[6,7-bis(oxidanyl)-3,4-dihydroisoquinolin-2-ium-1-yl]-4-oxidanyl-phenyl]azanium dibromide Openeye Name: [2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-1-yl)-4-hydroxy-phenyl]ammonium dibromide CAS Name: [2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-1-yl)-4-hydroxyphenyl]ammonium dibromide IUPAC Name: [2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-1-yl)-4-hydroxyphenyl]azanium dibromide Traditional Name: [2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-1-yl)-4-hydroxy-phenyl]ammonium dibromide Formula: C15H16Br2N2O3 MolecularWeight: 432.10714

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C2=CC(=C(C=C21)O)O)C3=C(C=CC(=C3)O)[NH3+].[Br-].[Br-]

Isomeric SMILES

C1C[NH+]=C(C2=CC(=C(C=C21)O)O)C3=C(C=CC(=C3)O)[NH3+].[Br-].[Br-]

InChI

InChI=1S/C15H14N2O3.2BrH/c16-12-2-1-9(18)6-11(12)15-10-7-14(20)13(19)5-8(10)3-4-17-15;;/h1-2,5-7,18-20H,3-4,16H2;2*1H