EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N3O |
| Net Charge | +1 |
| Average Mass | 332.427 |
| Monoisotopic Mass | 332.17574 |
| SMILES | Cc1ccc(-c2c[n+](CC(=O)Nc3ccccc3)c3n2CCC3)cc1 |
| InChI | InChI=1S/C21H21N3O/c1-16-9-11-17(12-10-16)19-14-23(21-8-5-13-24(19)21)15-20(25)22-18-6-3-2-4-7-18/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3/p+1 |
| InChIKey | MKWPYROABAONGW-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-phenylacetamide (CHEBI:104030) is a imidazoles (CHEBI:24780) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15388 | LINCS |