NDS
Summary
| Name: | ETHYL DIMETHYL AMMONIO PROPANE SULFONATE |
| Formula: | C7 H17 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 195.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[ethyl(dimethyl)ammonio]propane-1-sulfonate |
| OpenEye OEToolkits | 1.5.0 | 3-(ethyl-dimethyl-azaniumyl)propane-1-sulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]S(=O)(=O)CCC[N+](C)(CC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[N+](C)(C)CCC[S]([O-])(=O)=O |
| SMILES | CACTVS | 3.341 | CC[N+](C)(C)CCC[S]([O-])(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[N+](C)(C)CCCS(=O)(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC[N+](C)(C)CCCS(=O)(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3 |
| InChIKey | InChI | 1.03 | NNCRHRDBFDCWPA-UHFFFAOYSA-N |
