A1EBO
Summary
| Name: | 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone |
| Synonyms: | SR-01000389062 |
| Formula: | C17 H14 N O |
| Formal charge: | 1 |
| Formula weight: | 248.299 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14NO/c19-17(15-7-2-1-3-8-15)13-18-11-10-14-6-4-5-9-16(14)12-18/h1-12H,13H2/q+1 |
| InChIKey | InChI | 1.06 | LIAJGECMVWAMNA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(C[n+]1ccc2ccccc2c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C(C[n+]1ccc2ccccc2c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)C[n+]2ccc3ccccc3c2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)C[n+]2ccc3ccccc3c2 |
