5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole Openeye Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-(3-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-3-(3-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole Traditional Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-(3-pyridyl)-1,2,4-oxadiazole Formula: C12H15N4O2+ MolecularWeight: 247.2731

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC([NH2+]C1)C2=NC(=NO2)C3=CN=CC=C3

Isomeric SMILES

CO[C@@H]1C[C@H]([NH2+]C1)C2=NC(=NO2)C3=CN=CC=C3

InChI

InChI=1S/C12H14N4O2/c1-17-9-5-10(14-7-9)12-15-11(16-18-12)8-3-2-4-13-6-8/h2-4,6,9-10,14H,5,7H2,1H3/p+1/t9-,10+/m1/s1