KVP
Summary
| Name: | (2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium |
| Formula: | C5 H15 N O4 P |
| Formal charge: | 1 |
| Formula weight: | 184.151 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium |
| OpenEye OEToolkits | 2.0.6 | trimethyl-[(2~{R})-2-oxidanyl-2-phosphono-ethyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(P(O)(O)=O)C[N+](C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/p+1/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | YJIOAKRBBHTUPD-RXMQYKEDSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(C)C[C@H](O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | C[N+](C)(C)C[CH](O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[N+](C)(C)C[C@H](O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C[N+](C)(C)CC(O)P(=O)(O)O |
