F9O
Summary
| Name: | (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol |
| Formula: | C15 H19 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 328.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | VXCNMWNXDDMFSX-YPMHNXCESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCCN[C@@H]1CCCn2cnc3c(Cl)c(Cl)ccc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1n(cn2)CCC[C@@H]3[C@H](CCCN3)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1n(cn2)CCCC3C(CCCN3)O)Cl)Cl |
