| CID | 2 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 219 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 6 |
| pubchem_cactvs_subskeys | AAADceByOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAACBThgAYCCAMABgAIAACQCAAAAAAAAAAAAAEIAAACABQAgAAHQAAFIAAQAAAkAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | (2-acetoxy-4-hydroxy-4-oxo-butyl)-trimethyl-ammonium |
| pubchem_iupac_cas_name | (2-acetoxy-4-hydroxy-4-oxobutyl)-trimethylammonium |
| pubchem_iupac_systematic_name | (2-acetyloxy-4-hydroxy-4-oxo-butyl)-trimethyl-azanium |
| pubchem_iupac_traditional_name | (2-acetoxy-4-hydroxy-4-keto-butyl)-trimethyl-ammonium |
| pubchem_nist_inchi | InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 204.123583 |
| pubchem_molecular_formula | C9H18NO4+ |
| pubchem_molecular_weight | 204.24352 |
| pubchem_openeye_can_smiles | CC(=O)OC(CC(=O)O)C[N+](C)(C)C |
| pubchem_openeye_iso_smiles | CC(=O)OC(CC(=O)O)C[N+](C)(C)C |
| pubchem_cactvs_tpsa | 63.6 |
| pubchem_monoisotopic_weight | 204.123583 |
| pubchem_total_charge | 1 |
| pubchem_heavy_atom_count | 14 |
| 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 | 7 17 3 |
