Basic information
- CAS
64046-23-7- Standard SMILES
CCCCCCc1cc([N+](C)(C)C)ccc1OC(=O)NC.[I-]- InChIKey
CJENKLIAQYOEJG-UHFFFAOYSA-N- Molecular formula
- C17H29IN2O2
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 420.12738
Names & identifiers
- Preferred name
- Ammonium, ((4-hydroxy-3-hexyl)phenyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- [3-hexyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Names & synonyms
TL-1490Carbamic acid, methyl-, (3-hexyl-4-trimethylammonio)phenyl ester, iodideAMMONIUM, ((4-HYDROXY-3-HEXYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATEAmmonium, ((3-hexyl-4-methylcarbamoyloxy)phenyl)trimethyl-, iodideCarbamic acid, N-methyl-, 3-hexyl-4-dimethylaminophenyl ester, methiodide64046-23-7RefChem:318652
Database identifiers
- CAS
64046-23-7- PubChem CID
- 46594
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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