(2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate

Systemtic Name: (2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate Openeye Name: (2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylammonio)propanoate CAS Name: (2S)-3-[2-(methylthio)-1H-imidazol-5-yl]-2-(trimethylammonio)propanoate IUPAC Name: (2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate Traditional Name: (2S)-3-[2-(methylthio)-1H-imidazol-5-yl]-2-(trimethylammonio)propionate Formula: C10H17N3O2S MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CN=C(N1)SC)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)[C@@H](CC1=CN=C(N1)SC)C(=O)[O-]

InChI

InChI=1S/C10H17N3O2S/c1-13(2,3)8(9(14)15)5-7-6-11-10(12-7)16-4/h6,8H,5H2,1-4H3,(H-,11,12,14,15)/t8-/m0/s1