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

Systemtic Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-(phenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole CAS Name: 5-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-3-(phenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC([NH2+]C1)C2=NC(=NO2)CC3=CC=CC=C3

Isomeric SMILES

CO[C@@H]1C[C@H]([NH2+]C1)C2=NC(=NO2)CC3=CC=CC=C3

InChI

InChI=1S/C14H17N3O2/c1-18-11-8-12(15-9-11)14-16-13(17-19-14)7-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3/p+1/t11-,12+/m1/s1