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

Systemtic Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-phenyl-1,2,4-oxadiazole Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2/c1-17-10-7-11(14-8-10)13-15-12(16-18-13)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3/p+1/t10-,11+/m1/s1