EP1
Summary
| Name: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID |
| Formula: | C9 H20 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 252.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)CCCN1CCN(CCO)CC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCN1CCN(CCC[S](O)(=O)=O)CC1 |
| SMILES | CACTVS | 3.341 | OCCN1CCN(CCC[S](O)(=O)=O)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CN(CCN1CCCS(=O)(=O)O)CCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CN(CCN1CCCS(=O)(=O)O)CCO |
| InChI | InChI | 1.03 | InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15) |
| InChIKey | InChI | 1.03 | OWXMKDGYPWMGEB-UHFFFAOYSA-N |
