| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:43 UTC |
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| Update Date | 2025-03-21 18:30:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080759 |
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| Frequency | 36.0 |
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| Structure | |
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| Chemical Formula | C15H23N2O+ |
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| Molecular Mass | 247.1805 |
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| SMILES | CC(C(=O)N1CCc2ccccc2C1)[N+](C)(C)C |
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| InChI Key | SZHAWYWOHCZZTC-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 | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstertiary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | carbonyl grouptetraalkylammonium saltazacyclequaternary ammonium saltalpha-amino acid or derivativescarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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