A1JEL
Summary
| Name: | 4-[2-[[(3~{R})-3-oxidanylpyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol |
| Formula: | C13 H21 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 283.39 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-[[(3~{R})-3-oxidanylpyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H21N3O2S/c17-10-1-6-16(7-10)8-12-15-11(9-19-12)13(18)2-4-14-5-3-13/h9-10,14,17-18H,1-8H2 |
| InChIKey | InChI | 1.06 | HKRDPRBIEVSRIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCN(C1)Cc2scc(n2)C3(O)CCNCC3 |
| SMILES | CACTVS | 3.385 | O[CH]1CCN(C1)Cc2scc(n2)C3(O)CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nc(s1)CN2CC[C@H](C2)O)C3(CCNCC3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nc(s1)CN2CCC(C2)O)C3(CCNCC3)O |
