4-[(E)-2-pyridin-1-ium-4-ylethenyl]benzene-1,2-diol bromide

Systemtic Name: 4-[(E)-2-pyridin-1-ium-4-ylethenyl]benzene-1,2-diol bromide Openeye Name: 4-[(E)-2-pyridin-1-ium-4-ylvinyl]benzene-1,2-diol bromide CAS Name: 4-[(E)-2-(4-pyridin-1-iumyl)ethenyl]benzene-1,2-diol bromide IUPAC Name: 4-[(E)-2-pyridin-1-ium-4-ylethenyl]benzene-1,2-diol bromide Traditional Name: 4-[(E)-2-pyridin-1-ium-4-ylvinyl]pyrocatechol bromide Formula: C13H12BrNO2 MolecularWeight: 294.14388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC2=CC=[NH+]C=C2)O)O.[Br-]

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C2=CC=[NH+]C=C2)O)O.[Br-]

InChI

InChI=1S/C13H11NO2.BrH/c15-12-4-3-11(9-13(12)16)2-1-10-5-7-14-8-6-10;/h1-9,15-16H;1H/b2-1+;