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

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide Traditional Name: 1-protocatechuyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.Br

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.Br

InChI

InChI=1S/C16H17NO4.BrH/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12;/h1-2,6-8,12,17-21H,3-5H2;1H