KJN
Summary
| Name: | [(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium |
| Formula: | C12 H19 N2 O |
| Formal charge: | 1 |
| Formula weight: | 207.292 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2O/c1-14(2)12(15)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3/p+1/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | QEESVUFHIWOBTA-LLVKDONJSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)[C@H]([NH3+])CCc1ccccc1 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)[CH]([NH3+])CCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)[C@@H](CCc1ccccc1)[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)C(CCc1ccccc1)[NH3+] |
