Basic information
- CAS
6295-53-0- Standard SMILES
Cc1ccc(OC(=O)N2CCCCC2)c(C(C)C)c1[N+](C)(C)C.[I-]- InChIKey
OQIDPEUGQQCMMI-UHFFFAOYSA-M- Molecular formula
- C19H31IN2O2
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.14303
Names & identifiers
- Preferred name
- Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, 1-piperidinecarboxylate
- IUPAC
- trimethyl-[6-methyl-3-(piperidine-1-carbonyloxy)-2-propan-2-ylphenyl]azanium iodide
Names & synonyms
NSC 11876TL-968Ammonium, (5-(piperidinocarbonyloxy)carvacryl)trimethyl-, iodide1-Piperidinecarboxylic acid, 6-(trimethylammonio)thymyl ester, iodideAmmonium, (5-hydroxycarvacryl)trimethyl-, iodide, 1-piperidinecarboxylateCarbamic acid, N,N-pentamethylene-, 4-dimethylaminothymyl ester, methiodideBenzenaminium, N,N,N,2-tetramethyl-5-(1-methylethyl)-4-((1-piperidylcarbonyl)oxy)-, iodideRefChem:318951Benzenaminium, N,N,N,2-tetramethyl-5-(1-methylethyl)-4-((1-piperidylcarbonyl)oxy)-, iodide (9CI)6295-53-0
Database identifiers
- CAS
6295-53-0- PubChem CID
- 111187
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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