449
Summary
| Name: | 4-carboxy-1,1-dimethylpiperidin-1-ium |
| Formula: | C8 H16 N O2 |
| Formal charge: | 1 |
| Formula weight: | 158.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-carboxy-1,1-dimethylpiperidinium |
| OpenEye OEToolkits | 1.7.6 | 1,1-dimethylpiperidin-1-ium-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CC[N+](C)(C)CC1 |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO2/c1-9(2)5-3-7(4-6-9)8(10)11/h7H,3-6H2,1-2H3/p+1 |
| InChIKey | InChI | 1.03 | ZUZDUOOCVXTRAU-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+]1(C)CCC(CC1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[N+]1(C)CCC(CC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[N+]1(CCC(CC1)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | C[N+]1(CCC(CC1)C(=O)O)C |
