DPW
Summary
| Name: | decyl 2-trimethylazaniumylethyl phosphate |
| Formula: | C15 H34 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 323.409 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | decyl 2-(trimethylammonio)ethyl phosphate |
| OpenEye OEToolkits | 1.5.0 | decyl 2-trimethylazaniumylethyl phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]P(=O)(OCCCCCCCCCC)OCC[N+](C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H34NO4P/c1-5-6-7-8-9-10-11-12-14-19-21(17,18)20-15-13-16(2,3)4/h5-15H2,1-4H3 |
| InChIKey | InChI | 1.03 | VVVDGSCGBGBGFN-UHFFFAOYSA-N |
