| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:15 UTC |
|---|
| Update Date | 2025-03-25 00:46:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156368 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H19BrN+ |
|---|
| Molecular Mass | 268.0695 |
|---|
| SMILES | C[N+]1(C)CCCCC1c1ccc(Br)cc1 |
|---|
| InChI Key | KYMNYNVVMMALLB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | piperidines |
|---|
| Subclass | phenylpiperidines |
|---|
| Direct Parent | phenylpiperidines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aralkylaminesaryl bromidesazacyclic compoundsbromobenzeneshydrocarbon derivativesorganic cationsorganic saltsorganobromidesorganopnictogen compoundstetraalkylammonium salts |
|---|
| Substituents | monocyclic benzene moietytetraalkylammonium saltaromatic heteromonocyclic compoundazacyclequaternary ammonium saltbromobenzeneorganohalogen compoundaralkylaminearyl halidephenylpiperidineorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationhalobenzeneorganic saltaryl bromideamine |
|---|
