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

Systemtic Name: 3-(phenylmethyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole CAS Name: 3-(phenylmethyl)-5-[(2S)-2-pyrrolidin-1-iumyl]-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=NC(=NO2)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH2+]C1)C2=NC(=NO2)CC3=CC=CC=C3

InChI

InChI=1S/C13H15N3O/c1-2-5-10(6-3-1)9-12-15-13(17-16-12)11-7-4-8-14-11/h1-3,5-6,11,14H,4,7-9H2/p+1/t11-/m0/s1