Basic information
- CAS
64046-03-3- Standard SMILES
CNC(=O)Oc1cccc(CC[N+](C)(C)C)c1.[I-]- InChIKey
YGYAPZFYNAXISW-UHFFFAOYSA-N- Molecular formula
- C13H21IN2O2
- Average molar mass
- 364.22 g/mol
- Monoisotopic mass
- 364.06478
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxyphenethyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[2-[3-(methylcarbamoyloxy)phenyl]ethyl]azanium iodide
Names & synonyms
Carbamic acid, methyl-, 3-(beta-(trimethylammonio)ethyl)phenyl ester, iodideT-1887T-193964046-03-3Ammonium, (3-(N-methylcarbamoyloxy)phenethyl)trimethyl-, iodideAMMONIUM, (3-HYDROXYPHENETHYL)TRIMETHYL-, IODIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 3-(beta-dimethylaminoethyl)phenyl ester, methiodideRefChem:318878
Database identifiers
- CAS
64046-03-3- PubChem CID
- 46557
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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