| CID | 85 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 139 |
| pubchem_cactvs_hbond_acceptor | 3 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 4 |
| pubchem_cactvs_subskeys | AAADceBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAACBThgAYCCAMAAgAIAACQCAAAAAAAAAAAAAEIAAACEBQAgAAEQAAFIAAQAAAkAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | (2,4-dihydroxy-4-oxo-butyl)-trimethyl-ammonium |
| pubchem_iupac_cas_name | (2,4-dihydroxy-4-oxobutyl)-trimethylammonium |
| pubchem_iupac_systematic_name | (2,4-dihydroxy-4-oxo-butyl)-trimethyl-azanium |
| pubchem_iupac_traditional_name | (2,4-dihydroxy-4-keto-butyl)-trimethyl-ammonium |
| pubchem_nist_inchi | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 162.113018 |
| pubchem_molecular_formula | C7H16NO3+ |
| pubchem_molecular_weight | 162.20684 |
| pubchem_openeye_can_smiles | C[N+](C)(C)CC(CC(=O)O)O |
| pubchem_openeye_iso_smiles | C[N+](C)(C)CC(CC(=O)O)O |
| pubchem_cactvs_tpsa | 57.5 |
| pubchem_monoisotopic_weight | 162.113018 |
| pubchem_total_charge | 1 |
| pubchem_heavy_atom_count | 11 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_bondannotations | 6 14 3 |
