methyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanoate

Systemtic Name: methyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanoate Openeye Name: methyl 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetate CAS Name: 2-(4-pyridin-4-yl-1-pyridin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)acetate Traditional Name: 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetic acid methyl ester Formula: C13H13N2O2+ MolecularWeight: 229.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=C(C=C1)C2=CC=NC=C2

Isomeric SMILES

COC(=O)C[N+]1=CC=C(C=C1)C2=CC=NC=C2

InChI

InChI=1S/C13H13N2O2/c1-17-13(16)10-15-8-4-12(5-9-15)11-2-6-14-7-3-11/h2-9H,10H2,1H3/q+1