X13
Summary
| Name: | N,N,N-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium |
| Formula: | C17 H38 N O2 S2 |
| Formal charge: | 1 |
| Formula weight: | 352.619 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N,N,N-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium |
| OpenEye OEToolkits | 1.6.1 | trimethyl-(13-methylsulfonylsulfanyltridecyl)azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(SCCCCCCCCCCCCC[N+](C)(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[N+](C)(C)CCCCCCCCCCCCCS[S](C)(=O)=O |
| SMILES | CACTVS | 3.352 | C[N+](C)(C)CCCCCCCCCCCCCS[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[N+](C)(C)CCCCCCCCCCCCCSS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.6.1 | C[N+](C)(C)CCCCCCCCCCCCCSS(=O)(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C17H38NO2S2/c1-18(2,3)16-14-12-10-8-6-5-7-9-11-13-15-17-21-22(4,19)20/h5-17H2,1-4H3/q+1 |
| InChIKey | InChI | 1.03 | HCQJSWUFRMNETG-UHFFFAOYSA-N |
