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

Systemtic Name: [2-[6,7-bis(oxidanyl)-3,4-dihydroisoquinolin-2-ium-1-yl]phenyl]azanium dibromide Openeye Name: [2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-1-yl)phenyl]ammonium dibromide CAS Name: [2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-1-yl)phenyl]ammonium dibromide IUPAC Name: [2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-1-yl)phenyl]azanium dibromide Traditional Name: [2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-1-yl)phenyl]ammonium dibromide Formula: C15H16Br2N2O2 MolecularWeight: 416.10774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2.2BrH/c16-12-4-2-1-3-10(12)15-11-8-14(19)13(18)7-9(11)5-6-17-15;;/h1-4,7-8,18-19H,5-6,16H2;2*1H