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 |