LW8
Summary
| Name: | trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium |
| Formula: | C9 H16 N3 O2 S |
| Formal charge: | 1 |
| Formula weight: | 230.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | trimethyl-[(2~{S})-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | SSISHJJTAXXQAX-ZETCQYMHSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[N+](C)(C)[CH](CC1=CNC(=S)N1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O |
