QFJ
Summary
| Name: | propionylthiocholine |
| Synonyms: | N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium |
| Formula: | C8 H18 N O S |
| Formal charge: | 1 |
| Formula weight: | 176.3 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium |
| OpenEye OEToolkits | 2.0.7 | trimethyl(2-propanoylsulfanylethyl)azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C[N+](C)(C)CCSC(CC)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1 |
| InChIKey | InChI | 1.03 | ILWCNQXVCCMVCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)SCC[N+](C)(C)C |
| SMILES | CACTVS | 3.385 | CCC(=O)SCC[N+](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)SCC[N+](C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)SCC[N+](C)(C)C |
