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1-[[3,4-bis(oxidanyl)phenyl]methyl]isoquinolin-2-ium-6,7-diol bromide

1-[[3,4-bis(oxidanyl)phenyl]methyl]isoquinolin-2-ium-6,7-diol bromide

Systemtic Name:1-[[3,4-bis(oxidanyl)phenyl]methyl]isoquinolin-2-ium-6,7-diol bromide
Openeye Name:1-[(3,4-dihydroxyphenyl)methyl]isoquinolin-2-ium-6,7-diol bromide
CAS Name:1-[(3,4-dihydroxyphenyl)methyl]isoquinolin-2-ium-6,7-diol bromide
IUPAC Name:1-[(3,4-dihydroxyphenyl)methyl]isoquinolin-2-ium-6,7-diol bromide
Traditional Name:1-protocatechuylisoquinolin-2-ium-6,7-diol bromide
Formula: C16H14BrNO4
MolecularWeight: 364.19066
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=[NH+]C=CC3=CC(=C(C=C32)O)O)O)O.[Br-]


Isomeric SMILES

C1=CC(=C(C=C1CC2=[NH+]C=CC3=CC(=C(C=C32)O)O)O)O.[Br-]


InChI

InChI=1S/C16H13NO4.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;/h1-4,6-8,18-21H,5H2;1H


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