2-hydroxyethyl(trimethyl)azanium; 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Openeye Name: 2-hydroxyethyl(trimethyl)ammonium; 3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate CAS Name: 2-hydroxyethyl(trimethyl)ammonium; 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; 3-(2-thioxo-4-imidazolin-4-yl)propionate Formula: C11H21N3O3S MolecularWeight: 275.36774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N2O2S.C5H14NO/c9-5(10)2-1-4-3-7-6(11)8-4;1-6(2,3)4-5-7/h3H,1-2H2,(H,9,10)(H2,7,8,11);7H,4-5H2,1-3H3/q;+1/p-1