[(1S)-3-methyl-1-[5-(phenylmethyl)sulfonyl-1,3,4-oxadiazol-2-yl]butyl]azanium

Systemtic Name: [(1S)-3-methyl-1-[5-(phenylmethyl)sulfonyl-1,3,4-oxadiazol-2-yl]butyl]azanium Openeye Name: [(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-3-methyl-butyl]ammonium CAS Name: [(1S)-3-methyl-1-[5-(phenylmethyl)sulfonyl-1,3,4-oxadiazol-2-yl]butyl]ammonium IUPAC Name: [(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-3-methylbutyl]azanium Traditional Name: [(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-3-methyl-butyl]ammonium Formula: C14H20N3O3S+ MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C(O1)S(=O)(=O)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C1=NN=C(O1)S(=O)(=O)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C14H19N3O3S/c1-10(2)8-12(15)13-16-17-14(20-13)21(18,19)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3/p+1/t12-/m0/s1