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

Systemtic Name: (2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate Openeye Name: (2S)-3-(2-thioxo-1,3-dihydroimidazol-4-yl)-2-(trimethylammonio)propanoate CAS Name: (2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylammonio)propanoate IUPAC Name: (2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate Traditional Name: (2S)-3-(2-thioxo-4-imidazolin-4-yl)-2-(trimethylammonio)propionate Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/t7-/m0/s1