| SpectraBase Compound ID | FDFcgleXKXi |
|---|---|
| InChI | InChI=1S/C18H21N3O/c1-15-4-2-5-16(12-15)14-20-8-10-21(11-9-20)18(22)17-6-3-7-19-13-17/h2-7,12-13H,8-11,14H2,1H3/p+1 |
| InChIKey | AAGJYNRCFHTBJZ-UHFFFAOYSA-O |
| Mol Weight | 296.39 g/mol |
| Molecular Formula | C18H22N3O |
| Exact Mass | 296.176287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ihr4eUVGSVL |
|---|---|
| Name | 1-(3-Methylbenzyl)-4-(3-pyridinylcarbonyl)piperazin-1-ium |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.176287339 u |
| Formula | C18H22N3O |
| InChI | InChI=1S/C18H21N3O/c1-15-4-2-5-16(12-15)14-20-8-10-21(11-9-20)18(22)17-6-3-7-19-13-17/h2-7,12-13H,8-11,14H2,1H3/p+1 |
| InChIKey | AAGJYNRCFHTBJZ-UHFFFAOYSA-O |
| SMILES | C(N1CC[NH+](CC1)CC=1C=C(C)C=CC1)(C=1C=NC=CC1)=O |