1-[3-(3-oxidanidylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-3-olate hydrobromide

Systemtic Name: 1-[3-(3-oxidanidylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-3-olate hydrobromide Openeye Name: 1-[3-(3-oxidopyridin-1-ium-1-yl)propyl]pyridin-1-ium-3-olate hydrobromide CAS Name: 1-[3-(3-oxido-1-pyridin-1-iumyl)propyl]-3-pyridin-1-iumolate hydrobromide IUPAC Name: 1-[3-(3-oxidopyridin-1-ium-1-yl)propyl]pyridin-1-ium-3-olate hydrobromide Traditional Name: 1-[3-(3-oxidopyridin-1-ium-1-yl)propyl]pyridin-1-ium-3-olate hydrobromide Formula: C13H15BrN2O2 MolecularWeight: 311.1744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2.BrH/c16-12-4-1-6-14(10-12)8-3-9-15-7-2-5-13(17)11-15;/h1-2,4-7,10-11H,3,8-9H2;1H