6WF
Summary
| Name: | 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene |
| Formula: | C17 H18 Fe N3 O S |
| Formal charge: | 0 |
| Formula weight: | 368.254 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/C17H19N3OS.Fe/c21-16-9-8-13-6-2-3-7-14(13)15(16)12-18-19-17(22)20-10-4-1-5-11-20;/h2-3,6-9,12,21H,1,4-5,10-11H2,(H,19,22);/q;+1/p-1/b18-12+; |
| InChIKey | InChI | 1.03 | XLACDVBHSFVMPE-XMMWENQYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCN(CC1)C2=[S-][Fe]3Oc4ccc5ccccc5c4C=[N+]3N2 |
| SMILES | CACTVS | 3.385 | C1CCN(CC1)C2=[S-][Fe]3Oc4ccc5ccccc5c4C=[N+]3N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5 |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5 |
