T2V
Summary
| Name: | 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one |
| Formula: | C14 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 260.355 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{R})-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(C1CCCN(C1)C(C)=O)sc3c2cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2OS/c1-10(17)16-8-4-5-11(9-16)14-15-12-6-2-3-7-13(12)18-14/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | VRHLKEQAZUIMQF-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC[C@H](C1)c2sc3ccccc3n2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC[CH](C1)c2sc3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC[C@H](C1)c2nc3ccccc3s2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCCC(C1)c2nc3ccccc3s2 |
