4-(8-bromanyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide

Systemtic Name: 4-(8-bromanyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide Openeye Name: 4-(8-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide CAS Name: 4-(8-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide IUPAC Name: 4-(8-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol hydrate hydrobromide Traditional Name: 4-(8-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrocatechol hydrate hydrobromide Formula: C16H19Br2NO3 MolecularWeight: 433.13496

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C(=CC=C2)Br)C3=CC(=C(C=C3)O)O.O.Br

Isomeric SMILES

CN1CC(C2=C(C1)C(=CC=C2)Br)C3=CC(=C(C=C3)O)O.O.Br

InChI

InChI=1S/C16H16BrNO2.BrH.H2O/c1-18-8-12(10-5-6-15(19)16(20)7-10)11-3-2-4-14(17)13(11)9-18;;/h2-7,12,19-20H,8-9H2,1H3;1H;1H2