A1AXO
Summary
| Name: | 8-carbamoyl-1-benzopyran-1-ium |
| Formula: | C10 H8 N O2 |
| Formal charge: | 1 |
| Formula weight: | 174.176 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-carbamoyl-1-benzopyran-1-ium |
| OpenEye OEToolkits | 2.0.7 | chromenylium-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)c1cccc2ccc[o+]c12 |
| InChI | InChI | 1.06 | InChI=1S/C10H7NO2/c11-10(12)8-5-1-3-7-4-2-6-13-9(7)8/h1-6H,(H-,11,12)/p+1 |
| InChIKey | InChI | 1.06 | WLJDGPRXZCEFJM-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc2ccc[o+]c12 |
| SMILES | CACTVS | 3.385 | NC(=O)c1cccc2ccc[o+]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2ccc[o+]c2c(c1)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2ccc[o+]c2c(c1)C(=O)N |
