4XE
Summary
| Name: | 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium |
| Formula: | C11 H22 N3 O |
| Formal charge: | 1 |
| Formula weight: | 212.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium |
| OpenEye OEToolkits | 1.9.2 | 2-piperazin-4-ium-1-yl-1-piperidin-1-yl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(CN1CC[NH2+]CC1)N2CCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2/p+1 |
| InChIKey | InChI | 1.03 | PCHXUJGLAFXWIW-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CN1CC[NH2+]CC1)N2CCCCC2 |
| SMILES | CACTVS | 3.385 | O=C(CN1CC[NH2+]CC1)N2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1CCN(CC1)C(=O)CN2CC[NH2+]CC2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CCN(CC1)C(=O)CN2CC[NH2+]CC2 |
