| SpectraBase Spectrum ID |
4oLKBRLf52I |
| Name |
2-Amino-2-methyl-2-azoniabicyclo[2.2.2]oct-5-ene-(2,4,6-trimethylbenzenesulfonate) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.166413876 u |
| Formula |
C17H26N2O3S |
| InChI |
InChI=1S/C9H12O3S.C8H15N2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-10(9)6-7-2-4-8(10)5-3-7/h4-5H,1-3H3,(H,10,11,12);2,4,7-8H,3,5-6,9H2,1H3/q;+1/p-1 |
| InChIKey |
FSFWKUKZMJBSPD-UHFFFAOYSA-M |
| Molecular Weight |
338.466 g/mol |
| SMILES |
C12[N+](CC(C=C2)CC1)(N)C.C=1(S([O-])(=O)=O)C(=CC(C)=CC1C)C |
![2-Amino-2-methyl-2-azoniabicyclo[2.2.2]oct-5-ene-(2,4,6-trimethylbenzenesulfonate)](/api/spectrum/4oLKBRLf52I/structure.png?h=300&w=458 "2-Amino-2-methyl-2-azoniabicyclo[2.2.2]oct-5-ene-(2,4,6-trimethylbenzenesulfonate)")
