LDQ
Summary
| Name: | Hosieine |
| Formula: | C15 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 244.332 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H20N2O/c1-9-6-13-11-8-17-12(4-3-5-14(17)18)10(15(9)11)7-16(13)2/h3-5,9-11,13,15H,6-8H2,1-2H3/t9-,10-,11-,13-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | PDPSDBUFNKLMBE-FPVNZWGXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@@H]2[C@H]3CN4C(=O)C=CC=C4[C@@H](CN2C)[C@@H]13 |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH]2[CH]3CN4C(=O)C=CC=C4[CH](CN2C)[CH]13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC2C3C1C(CN2C)C4=CC=CC(=O)N4C3 |
