Basic information
- CAS
63981-80-6- Standard SMILES
CCCCc1cc(OC(=O)N(C)C)ccc1[N+](C)(C)C.[I-]- InChIKey
LJFLKAUDQFIQLV-UHFFFAOYSA-M- Molecular formula
- C16H27IN2O2
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 406.11173
Names & identifiers
- Preferred name
- Ammonium, ((4-hydroxy-2-butyl)phenyl)trimethyl-, iodide, dimethylcarbamate
- IUPAC
- [2-butyl-4-(dimethylcarbamoyloxy)phenyl]-trimethylazanium iodide
Names & synonyms
TL-1461Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-2-butyl)phenyl)trimethyl-, iodideCarbamic acid, dimethyl-, ((4-trimethylammonio)-3-butyl)phenyl ester, iodide63981-80-6Carbamic acid, N,N-dimethyl-, 3-butyl-4-dimethylaminophenyl ester, methiodideAMMONIUM, ((4-HYDROXY-2-BUTYL)PHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATERefChem:318639DTXSID209816452-Butyl-4-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium iodide
Database identifiers
- CAS
63981-80-6- PubChem CID
- 46009
- DTXSID
DTXSID20981645
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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