| SpectraBase Spectrum ID |
L9cK8YINzFN |
| Name |
1-{5-[(4-Chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-methylpiperazin-4-ium |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.111828534 u |
| Formula |
C14H18ClN4O2 |
| InChI |
InChI=1S/C14H17ClN4O2/c1-17-4-6-18(7-5-17)14(20)13-3-2-12(21-13)10-19-9-11(15)8-16-19/h2-3,8-9H,4-7,10H2,1H3/p+1 |
| InChIKey |
RHHLREHCUXPHCJ-UHFFFAOYSA-O |
| Molecular Weight |
309.777 g/mol |
| SMILES |
C=1(C(N2CC[NH+](C)CC2)=O)OC(CN2N=CC(=C2)Cl)=CC1 |
![1-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-methylpiperazin-4-ium](/api/spectrum/L9cK8YINzFN/structure.png?h=300&w=458 "1-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-methylpiperazin-4-ium")
