5U9
Summary
| Name: | ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide |
| Formula: | C9 H12 N3 O2 S |
| Formal charge: | 1 |
| Formula weight: | 226.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11N3O2S/c1-5(13)7-4-15-9(11-7)12-8(14)6-2-10-3-6/h4,6,10H,2-3H2,1H3,(H,11,12,14)/p+1 |
| InChIKey | InChI | 1.03 | HHOKILYJEJQQMO-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1csc(NC(=O)C2C[NH2+]C2)n1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1csc(NC(=O)C2C[NH2+]C2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2 |
