Basic information
- CAS
63981-86-2- Standard SMILES
Cc1c(OC(=O)N(C)C)cc(C(C)C)cc1[N+](C)(C)C.[I-]- InChIKey
OWBMIRJXYXGPCS-UHFFFAOYSA-M- Molecular formula
- C16H27IN2O2
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 406.11173
Names & identifiers
- Preferred name
- Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, dimethylcarbamate
- IUPAC
- [3-(dimethylcarbamoyloxy)-2-methyl-5-propan-2-ylphenyl]-trimethylazanium iodide
Names & synonyms
(5-Hydroxycarvacryl)trimethylammonium iodide, dimethylcarbamate63981-86-2Ammonium, (5-(N,N-dimethylcarbamoyloxy)carvacryl)trimethyl-, iodideCarbamic acid, dimethyl-, (6-trimethylammonio)thymyl ester, iodideCarbamic acid, N,N-dimethyl-, 4-dimethylaminothymyl ester, methiodideAMMONIUM, (5-HYDROXYCARVACRYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATERefChem:318952SB-10SCHEMBL29356295DTXSID709816503-[(dimethylcarbamoyl)oxy]-N,N,N,2-tetramethyl-5-(propan-2-yl)anilinium iodide
Database identifiers
- CAS
63981-86-2- PubChem CID
- 46019
- DTXSID
DTXSID70981650
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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