2-acetamido-4-methylsulfanyl-butanoate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 2-acetamido-4-methylsulfanyl-butanoate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 2-acetamido-4-methylsulfanyl-butanoate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 2-acetamido-4-(methylthio)butanoate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 2-acetamido-4-methylsulfanylbutanoate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 2-acetamido-4-(methylthio)butyrate; 2-hydroxyethyl(trimethyl)ammonium Formula: C12H26N2O4S MolecularWeight: 294.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)[O-].C[N+](C)(C)CCO

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)[O-].C[N+](C)(C)CCO

InChI

InChI=1S/C7H13NO3S.C5H14NO/c1-5(9)8-6(7(10)11)3-4-12-2;1-6(2,3)4-5-7/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11);7H,4-5H2,1-3H3/q;+1/p-1