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

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide Traditional Name: 2-methyl-1-protocatechuyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide Formula: C17H20BrNO4 MolecularWeight: 382.249

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)O.Br

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)O.Br

InChI

InChI=1S/C17H19NO4.BrH/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10;/h2-3,7-9,13,19-22H,4-6H2,1H3;1H