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

Systemtic Name: 2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-(dimethylamino)-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoic acid; 2-(trimethylammonio)acetate CAS Name: 2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-(dimethylamino)-3-(2-thioxo-4-imidazolin-4-yl)propionic acid; 2-(trimethylammonio)acetate Formula: C13H24N4O4S MolecularWeight: 332.41906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O2S.C5H11NO2/c1-11(2)6(7(12)13)3-5-4-9-8(14)10-5;1-6(2,3)4-5(7)8/h4,6H,3H2,1-2H3,(H,12,13)(H2,9,10,14);4H2,1-3H3