A1MBR
Summary
| Name: | 3-[2-(4-chloranylnaphthalen-1-yl)oxyethyl]-1-oxidanidyl-pyridin-1-ium |
| Synonyms: | DL-175 |
| Formula: | C17 H14 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 299.752 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[2-(4-chloranylnaphthalen-1-yl)oxyethyl]-1-oxidanidyl-pyridin-1-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14ClNO2/c18-16-7-8-17(15-6-2-1-5-14(15)16)21-11-9-13-4-3-10-19(20)12-13/h1-8,10,12H,9,11H2 |
| InChIKey | InChI | 1.06 | FXOVKEUUTXBOJZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][n+]1cccc(CCOc2ccc(Cl)c3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | [O-][n+]1cccc(CCOc2ccc(Cl)c3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccc2Cl)OCCc3ccc[n+](c3)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccc2Cl)OCCc3ccc[n+](c3)[O-] |
