| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:57 UTC |
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| Update Date | 2025-03-21 18:07:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069219 |
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| Frequency | 43.7 |
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| Structure | |
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| Chemical Formula | C13H19ClNO+ |
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| Molecular Mass | 240.115 |
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| SMILES | C[N+]1(C)CCC(O)(c2ccc(Cl)cc2)CC1 |
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| InChI Key | WRELIOUMIIZRTL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminesaryl chloridesazacyclic compoundschlorobenzeneshydrocarbon derivativesorganic cationsorganic saltsorganochloridesorganopnictogen compoundstertiary alcoholstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganohalogen compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltaryl chloridechlorobenzenealcoholtetraalkylammonium saltazacyclequaternary ammonium saltaryl halidetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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