Chem
J-GLOBAL ID：200907095113882604   Nikkaji number：J39.058E

(S)-1-Carboxy-N,N,N-trimethyl-2-(2-mercapto-1H-imidazol-4-yl)ethanaminium

[(1S)-1-カルボキシ-2-(2-スルファニル-1H-イミダゾール-4-イル)エチル]トリメチルアザニウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C9H16N2[N+]O2S
Molecular formula furigana： C9-H16-N3-O2-S
Molecular weight： 230.310
InChI： InChI=1S/C9H15N3O2S/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)/p+1/t7-/m0/s1
InChI key： SSISHJJTAXXQAX-ZETCQYMHSA-O
SMILES： C[N+](C)(C)[C@@H](Cc1c[nH]c(S)n1)C(=O)O
Systematic name  (3)：
  • (S)-1-カルボキシ-N,N,N-トリメチル-2-(2-メルカプト-1H-イミダゾール-4-イル)エタンアミニウム
  • [(1S)-1-カルボキシ-2-(2-スルファニル-1H-イミダゾール-4-イル)エチル]トリメチルアザニウム
  • [(1S)-1-carboxy-2-(2-sulfanyl-1H-imidazol-4-yl)ethyl]trimethylazanium
Other name (1)：
  • (S)-1-Carboxy-N,N,N-trimethyl-2-(2-mercapto-1H-imidazol-4-yl)ethanaminium
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