8WF
Summary
| Name: | 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol |
| Synonyms: | 2-dodecyl -4-HYDROXY QUINOLINE N-OXIDE |
| Formula: | C21 H31 N O2 |
| Formal charge: | 0 |
| Formula weight: | 329.476 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,23H,2-11,14H2,1H3 |
| InChIKey | InChI | 1.03 | DAHXHNYLVGWOJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-] |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O |
