(E)-1-(3-oxidanylpyridin-1-ium-1-yl)-4-phenyl-but-3-en-2-one bromide

Systemtic Name: (E)-1-(3-oxidanylpyridin-1-ium-1-yl)-4-phenyl-but-3-en-2-one bromide Openeye Name: (E)-1-(3-hydroxypyridin-1-ium-1-yl)-4-phenyl-but-3-en-2-one bromide CAS Name: (E)-1-(3-hydroxy-1-pyridin-1-iumyl)-4-phenyl-3-buten-2-one bromide IUPAC Name: (E)-1-(3-hydroxypyridin-1-ium-1-yl)-4-phenylbut-3-en-2-one bromide Traditional Name: (E)-1-(3-hydroxypyridin-1-ium-1-yl)-4-phenyl-but-3-en-2-one bromide Formula: C15H14BrNO2 MolecularWeight: 320.18116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C[N+]2=CC=CC(=C2)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C[N+]2=CC=CC(=C2)O.[Br-]

InChI

InChI=1S/C15H13NO2.BrH/c17-14-7-4-10-16(11-14)12-15(18)9-8-13-5-2-1-3-6-13;/h1-11H,12H2;1H/b9-8+;