[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)OC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H15N3O4/c1-11-3-5-13(6-4-11)16-19-18-15(24-16)12(2)23-17(21)14-7-9-20(22)10-8-14/h3-10,12H,1-2H3/t12-/m0/s1