3-[3-(1-methylpyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]propanoate

Systemtic Name: 3-[3-(1-methylpyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: 3-[3-(1-methylpyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(1-methyl-3-pyridin-1-iumyl)-1,2,4-oxadiazol-5-yl]propanoate IUPAC Name: 3-[3-(1-methylpyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]propanoate Traditional Name: 3-[3-(1-methylpyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]propionate Formula: C11H11N3O3 MolecularWeight: 233.22334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NOC(=N2)CCC(=O)[O-]

InChI

InChI=1S/C11H11N3O3/c1-14-6-2-3-8(7-14)11-12-9(17-13-11)4-5-10(15)16/h2-3,6-7H,4-5H2,1H3