KH2
Summary
| Name: | 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate |
| Formula: | C9 H19 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 221.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate |
| OpenEye OEToolkits | 1.7.6 | 3-(1-methylpiperidin-1-ium-1-yl)propane-1-sulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-]S(=O)(=O)CCC[N+]1(CCCCC1)C |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO3S/c1-10(6-3-2-4-7-10)8-5-9-14(11,12)13/h2-9H2,1H3 |
| InChIKey | InChI | 1.03 | DQNQWAVIDNVATL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[N+]1(CCCCC1)CCC[S]([O-])(=O)=O |
| SMILES | CACTVS | 3.370 | C[N+]1(CCCCC1)CCC[S]([O-])(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[N+]1(CCCCC1)CCCS(=O)(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | C[N+]1(CCCCC1)CCCS(=O)(=O)[O-] |
