1PS
Summary
| Name: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE |
| Synonyms: | 1-(3-SULFOPROPYL) PYRIDINIUM PPS |
| Formula: | C8 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 201.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-pyridinium-1-ylpropane-1-sulfonate |
| OpenEye OEToolkits | 1.5.0 | 3-pyridin-1-ium-1-ylpropane-1-sulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]S(=O)(=O)CCC[n+]1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-][S](=O)(=O)CCC[n+]1ccccc1 |
| SMILES | CACTVS | 3.341 | [O-][S](=O)(=O)CCC[n+]1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc[n+](cc1)CCCS(=O)(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc[n+](cc1)CCCS(=O)(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | InChI | 1.03 | REEBJQTUIJTGAL-UHFFFAOYSA-N |
