ZWI
Summary
| Name: | 3-[decyl(dimethyl)ammonio]propane-1-sulfonate |
| Formula: | C15 H33 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 307.492 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[decyl(dimethyl)ammonio]propane-1-sulfonate |
| OpenEye OEToolkits | 1.7.6 | 3-[decyl(dimethyl)azaniumyl]propane-1-sulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-]S(=O)(=O)CCC[N+](C)(CCCCCCCCCC)C |
| InChI | InChI | 1.03 | InChI=1S/C15H33NO3S/c1-4-5-6-7-8-9-10-11-13-16(2,3)14-12-15-20(17,18)19/h4-15H2,1-3H3 |
| InChIKey | InChI | 1.03 | WKALLSVICJPZTM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O |
| SMILES | CACTVS | 3.370 | CCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
