2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethyl-azanium; 4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethyl-azanium; 4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethyl-ammonium; 4-hydroxy-4-oxo-butanoate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl-diethylammonium; 4-hydroxy-4-oxobutanoate IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethylazanium; 4-hydroxy-4-oxobutanoate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl-diethyl-ammonium; 4-hydroxy-4-keto-butyrate Formula: C16H27N3O4S MolecularWeight: 357.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=CC(=N1)C)C.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=CC(=N1)C)C.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C12H21N3S.C4H6O4/c1-5-15(6-2)7-8-16-12-13-10(3)9-11(4)14-12;5-3(6)1-2-4(7)8/h9H,5-8H2,1-4H3;1-2H2,(H,5,6)(H,7,8)