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

Systemtic Name: 3-(3-bromophenyl)-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Openeye Name: 3-(3-bromophenyl)-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole CAS Name: 3-(3-bromophenyl)-5-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-bromophenyl)-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Traditional Name: 3-(3-bromophenyl)-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Formula: C13H15BrN3O2+ MolecularWeight: 325.1811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O2/c1-18-10-6-11(15-7-10)13-16-12(17-19-13)8-3-2-4-9(14)5-8/h2-5,10-11,15H,6-7H2,1H3/p+1/t10-,11+/m1/s1