Summary
| Name: | 2-HEPTYL-1,4-DIHYDROXY-QUINOLINIUM |
| Formula: | C16 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 259.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-heptylquinolin-4-ol 1-oxide |
| OpenEye OEToolkits | 1.5.0 | 2-heptyl-1-oxido-quinolin-1-ium-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][n+]2c1ccccc1c(O)cc2CCCCCCC |
| InChI | InChI | 1.02b | InChI=1/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3 |
| InChIKey | InChI | 1.02b | NZPACTGCRWDXCJ-UHFFFAOYAL |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCc1cc(O)c2ccccc2[n+]1[O-] |
| SMILES | CACTVS | 3.341 | CCCCCCCc1cc(O)c2ccccc2[n+]1[O-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCc1cc(c2ccccc2[n+]1[O-])O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCc1cc(c2ccccc2[n+]1[O-])O |
