BCH
Summary
| Name: | 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM |
| Synonyms: | BUTYRYLTHIOCHOLINE |
| Formula: | C9 H20 N O S |
| Formal charge: | 1 |
| Formula weight: | 190.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium |
| OpenEye OEToolkits | 1.5.0 | 2-butanoylsulfanylethyl-trimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(SCC[N+](C)(C)C)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC(=O)SCC[N+](C)(C)C |
| SMILES | CACTVS | 3.341 | CCCC(=O)SCC[N+](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC(=O)SCC[N+](C)(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(=O)SCC[N+](C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1 |
| InChIKey | InChI | 1.03 | AWBGQVBMGBZGLS-UHFFFAOYSA-N |
