A1IW6
Summary
| Name: | (3~{S})-3-indol-1-ylpiperidine-2,6-dione |
| Formula: | C13 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 228.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-indol-1-ylpiperidine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12N2O2/c16-12-6-5-11(13(17)14-12)15-8-7-9-3-1-2-4-10(9)15/h1-4,7-8,11H,5-6H2,(H,14,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | PECBNOFEMHFECB-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@H](n2ccc3ccccc23)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1CC[CH](n2ccc3ccccc23)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccn2[C@H]3CCC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccn2C3CCC(=O)NC3=O |
