SpectraBase Spectrum ID |
BWof0OHAGip |
Name |
3-Benzyl-5-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)-ethyl]-4-methyl-thiazol-3-ium |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
354.152775189 u |
Formula |
C21H24NO2S |
InChI |
InChI=1S/C21H24NO2S/c1-15-20(25-14-22(15)13-16-5-3-2-4-6-16)9-10-24-21(23)19-12-17-7-8-18(19)11-17/h2-8,14,17-19H,9-13H2,1H3/q+1/t17-,18+,19-/m1/s1 |
InChIKey |
CFZYAXKAEPJHSS-CEXWTWQISA-N |
Molecular Weight |
354.488 g/mol |
SMILES |
C1=CC=CC(=C1)C[N+]=1C(=C(SC1)CCOC([C@]1([C@]2(C=C[C@](C2)(C1)[H])[H])[H])=O)C |