XUF
Summary
| Name: | ~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine |
| Formula: | C19 H26 Br N3 O S |
| Formal charge: | 0 |
| Formula weight: | 424.398 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H26BrN3OS/c1-24-14-13-22(10-6-16-2-4-17(20)5-3-16)18-7-11-23(12-8-18)19-21-9-15-25-19/h2-5,9,15,18H,6-8,10-14H2,1H3 |
| InChIKey | InChI | 1.06 | ZIMCMBNSEPJKGB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCN(CCc1ccc(Br)cc1)C2CCN(CC2)c3sccn3 |
| SMILES | CACTVS | 3.385 | COCCN(CCc1ccc(Br)cc1)C2CCN(CC2)c3sccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCN(CCc1ccc(cc1)Br)C2CCN(CC2)c3nccs3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCN(CCc1ccc(cc1)Br)C2CCN(CC2)c3nccs3 |
