4-[8-azanyl-7-oxidanyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-4-yl]benzene-1,2-diol hydrobromide

Systemtic Name: 4-[8-azanyl-7-oxidanyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-4-yl]benzene-1,2-diol hydrobromide Openeye Name: 4-(8-amino-2-benzyl-7-hydroxy-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol hydrobromide CAS Name: 4-[8-amino-7-hydroxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-4-yl]benzene-1,2-diol hydrobromide IUPAC Name: 4-(8-amino-2-benzyl-7-hydroxy-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol hydrobromide Traditional Name: 4-(8-amino-2-benzyl-7-hydroxy-3,4-dihydro-1H-isoquinolin-4-yl)pyrocatechol hydrobromide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(CN1CC3=CC=CC=C3)C(=C(C=C2)O)N)C4=CC(=C(C=C4)O)O.Br

Isomeric SMILES

C1C(C2=C(CN1CC3=CC=CC=C3)C(=C(C=C2)O)N)C4=CC(=C(C=C4)O)O.Br

InChI

InChI=1S/C22H22N2O3.BrH/c23-22-18-13-24(11-14-4-2-1-3-5-14)12-17(16(18)7-9-20(22)26)15-6-8-19(25)21(27)10-15;/h1-10,17,25-27H,11-13,23H2;1H