6EM
Summary
| Name: | (2S)-1-amino-N,N,N-trimethyl-1-oxobutan-2-aminium |
| Formula: | C7 H17 N2 O |
| Formal charge: | 1 |
| Formula weight: | 145.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-1-amino-N,N,N-trimethyl-1-oxobutan-2-aminium |
| OpenEye OEToolkits | 2.0.4 | [(2~{S})-1-azanyl-1-oxidanylidene-butan-2-yl]-trimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(C(=O)N)[N+](C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C7H16N2O/c1-5-6(7(8)10)9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | LPOFDMFKBRMZLU-LURJTMIESA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C(N)=O)[N+](C)(C)C |
| SMILES | CACTVS | 3.385 | CC[CH](C(N)=O)[N+](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC[C@@H](C(=O)N)[N+](C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCC(C(=O)N)[N+](C)(C)C |
