AT3
Summary
| Name: | ACETYLTHIOCHOLINE |
| Synonyms: | 2-{[(1S)-1-HYDROXYETHYL]THIO}-N,N,N-TRIMETHYLETHANAMINIUM |
| Formula: | C7 H16 N O S |
| Formal charge: | 1 |
| Formula weight: | 162.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(acetylsulfanyl)-N,N,N-trimethylethanaminium |
| OpenEye OEToolkits | 1.5.0 | 2-ethanoylsulfanylethyl-trimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(SCC[N+](C)(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)SCC[N+](C)(C)C |
| SMILES | CACTVS | 3.341 | CC(=O)SCC[N+](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)SCC[N+](C)(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)SCC[N+](C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 |
| InChIKey | InChI | 1.03 | GFFIJCYHQYHUHB-UHFFFAOYSA-N |
