1-(1-oxidanidylpyridin-1-ium-3-yl)-3-pyridin-4-yl-prop-2-en-1-one

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-3-yl)-3-pyridin-4-yl-prop-2-en-1-one Openeye Name: 1-(1-oxidopyridin-1-ium-3-yl)-3-(4-pyridyl)prop-2-en-1-one CAS Name: 1-(1-oxido-3-pyridin-1-iumyl)-3-pyridin-4-yl-2-propen-1-one IUPAC Name: 1-(1-oxidopyridin-1-ium-3-yl)-3-pyridin-4-ylprop-2-en-1-one Traditional Name: 1-(1-oxidopyridin-1-ium-3-yl)-3-(4-pyridyl)prop-2-en-1-one Formula: C13H10N2O2 MolecularWeight: 226.2307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)C=CC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)C=CC2=CC=NC=C2

InChI

InChI=1S/C13H10N2O2/c16-13(12-2-1-9-15(17)10-12)4-3-11-5-7-14-8-6-11/h1-10H