(2R,3S)-3-oxidanyl-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate

Systemtic Name: (2R,3S)-3-oxidanyl-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate Openeye Name: (2R,3S)-3-hydroxy-3-(2-thioxo-1,3-dihydroimidazol-4-yl)-2-(trimethylammonio)propanoate CAS Name: (2R,3S)-3-hydroxy-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylammonio)propanoate IUPAC Name: (2R,3S)-3-hydroxy-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate Traditional Name: (2R,3S)-3-hydroxy-3-(2-thioxo-4-imidazolin-4-yl)-2-(trimethylammonio)propionate Formula: C9H15N3O3S MolecularWeight: 245.2987

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(C(C1=CNC(=S)N1)O)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)[C@H]([C@@H](C1=CNC(=S)N1)O)C(=O)[O-]

InChI

InChI=1S/C9H15N3O3S/c1-12(2,3)6(8(14)15)7(13)5-4-10-9(16)11-5/h4,6-7,13H,1-3H3,(H2-,10,11,14,15,16)/t6-,7-/m1/s1