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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O3/c1-14-6-4-8(5-7-14)11-12-9(17-13-11)2-3-10(15)16/h4-7H,2-3H2,1H3