| SpectraBase Spectrum ID |
LoP5gHJ1tHG |
| Name |
4-(Dodecylcarbamoyl)-1-methylpyridinium methanesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.239578817 u |
| Formula |
C20H36N2O4S |
| InChI |
InChI=1S/C19H32N2O.CH4O3S/c1-3-4-5-6-7-8-9-10-11-12-15-20-19(22)18-13-16-21(2)17-14-18;1-5(2,3)4/h13-14,16-17H,3-12,15H2,1-2H3;1H3,(H,2,3,4) |
| InChIKey |
CUGDIQHDDULLLK-UHFFFAOYSA-N |
| SMILES |
CS(=O)([O-])=O.N(C(C1=CC=[N+](C=C1)C)=O)CCCCCCCCCCCC |
