Basic information
- CAS
63981-82-8- Standard SMILES
CCCCc1cc(OC(=O)NC)ccc1[N+](C)(C)C.[I-]- InChIKey
XYDOZKZCUYYPQA-UHFFFAOYSA-N- Molecular formula
- C15H25IN2O2
- Average molar mass
- 392.28 g/mol
- Monoisotopic mass
- 392.09608
Names & identifiers
- Preferred name
- Ammonium, ((4-hydroxy-2-butyl)phenyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- [2-butyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Names & synonyms
TL-1475Carbamic acid, methyl-, (3-butyl-4-trimethylammonio)phenyl ester, iodideAMMONIUM, ((4-HYDROXY-2-BUTYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATEAmmonium, ((2-butyl-4-methylcarbamoyloxy)phenyl)trimethyl-, iodideCarbamic acid, N-methyl-, 3-butyl-4-dimethylaminophenyl ester, methiodide63981-82-8RefChem:318640
Database identifiers
- CAS
63981-82-8- PubChem CID
- 46013
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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