V4H
Summary
| Name: | 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde |
| Formula: | C13 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 233.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H15NO3/c15-9-10-3-5-11(6-4-10)13(17)14-7-1-2-12(16)8-14/h3-6,9,12,16H,1-2,7-8H2/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | PPFSSDOIHGGARW-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCCN(C1)C(=O)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCN(C1)C(=O)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)C(=O)N2CCC[C@H](C2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)C(=O)N2CCCC(C2)O |
