(4-methylsulfanylphenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium Openeye Name: (4-methylsulfanylphenyl)methyl-[(3S)-2-oxotetrahydrofuran-3-yl]ammonium CAS Name: [4-(methylthio)phenyl]methyl-[(3S)-2-oxo-3-oxolanyl]ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-[(3S)-2-oxooxolan-3-yl]azanium Traditional Name: [(3S)-2-ketotetrahydrofuran-3-yl]-[4-(methylthio)benzyl]ammonium Formula: C12H16NO2S+ MolecularWeight: 238.32594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]C2CCOC2=O

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+][C@H]2CCOC2=O

InChI

InChI=1S/C12H15NO2S/c1-16-10-4-2-9(3-5-10)8-13-11-6-7-15-12(11)14/h2-5,11,13H,6-8H2,1H3/p+1/t11-/m0/s1