NDB
Summary
| Name: | N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium |
| Formula: | C7 H18 N O4 S |
| Formal charge: | 1 |
| Formula weight: | 212.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium |
| OpenEye OEToolkits | 1.6.1 | 2-hydroxyethyl-dimethyl-(3-sulfopropyl)azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=S(=O)(O)CCC[N+](C)(CCO)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[N+](C)(CCO)CCC[S](O)(=O)=O |
| SMILES | CACTVS | 3.352 | C[N+](C)(CCO)CCC[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[N+](C)(CCCS(=O)(=O)O)CCO |
| SMILES | OpenEye OEToolkits | 1.7.0 | C[N+](C)(CCCS(=O)(=O)O)CCO |
| InChI | InChI | 1.03 | InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3/p+1 |
| InChIKey | InChI | 1.03 | CNXPCGBLGHKAIL-UHFFFAOYSA-O |
