[(1S)-3-methylsulfonyl-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]propyl]azanium

Systemtic Name: [(1S)-3-methylsulfonyl-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]propyl]azanium Openeye Name: [(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonyl-propyl]ammonium CAS Name: [(1S)-3-methylsulfonyl-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]propyl]ammonium IUPAC Name: [(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropyl]azanium Traditional Name: [(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-mesyl-propyl]ammonium Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C1=NC(=NO1)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C1=NC(=NO1)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C13H17N3O3S/c1-20(17,18)8-7-11(14)13-15-12(16-19-13)9-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3/p+1/t11-/m0/s1