3DP
Summary
| Name: | 3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE |
| Formula: | C13 H29 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 279.439 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[dimethyl(octyl)ammonio]propane-1-sulfonate |
| OpenEye OEToolkits | 1.5.0 | 3-(dimethyl-octyl-azaniumyl)propane-1-sulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]S(=O)(=O)CCC[N+](C)(CCCCCCCC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3 |
| InChIKey | InChI | 1.03 | QZRAABPTWGFNIU-UHFFFAOYSA-N |
