trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium chloride

Systemtic Name: trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium chloride Openeye Name: [(1S)-2-hydroxy-2-oxo-1-[(2-thioxo-1,3-dihydroimidazol-4-yl)methyl]ethyl]-trimethyl-ammonium chloride CAS Name: [(2S)-1-hydroxy-1-oxo-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]-trimethylammonium chloride IUPAC Name: [(2S)-1-hydroxy-1-oxo-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]-trimethylazanium chloride Traditional Name: [(1S)-2-hydroxy-2-keto-1-[(2-thioxo-4-imidazolin-4-yl)methyl]ethyl]-trimethyl-ammonium chloride Formula: C9H16ClN3O2S MolecularWeight: 265.76024

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O.[Cl-]

InChI

InChI=1S/C9H15N3O2S.ClH/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6;/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15);1H/t7-;/m0./s1