2-azanyl-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-azanyl-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-amino-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoic acid; 2-(trimethylammonio)acetate CAS Name: 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-amino-3-(2-thioxo-4-imidazolin-4-yl)propionic acid; 2-(trimethylammonio)acetate Formula: C11H20N4O4S MolecularWeight: 304.3659

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)[O-].C1=C(NC(=S)N1)CC(C(=O)O)N

Isomeric SMILES

C[N+](C)(C)CC(=O)[O-].C1=C(NC(=S)N1)CC(C(=O)O)N

InChI

InChI=1S/C6H9N3O2S.C5H11NO2/c7-4(5(10)11)1-3-2-8-6(12)9-3;1-6(2,3)4-5(7)8/h2,4H,1,7H2,(H,10,11)(H2,8,9,12);4H2,1-3H3