Basic information
- CAS
63981-66-8- Standard SMILES
CCC(c1cccc(OC(=O)NC)c1)[N+](C)(C)C.[I-]- InChIKey
VDLAMFAKUHJWPO-UHFFFAOYSA-N- Molecular formula
- C14H23IN2O2
- Average molar mass
- 378.25 g/mol
- Monoisotopic mass
- 378.08043
Names & identifiers
- Preferred name
- T 1895
- IUPAC
- trimethyl-[1-[3-(methylcarbamoyloxy)phenyl]propyl]azanium iodide
Names & synonyms
Carbamic acid, methyl-, 3-(alpha-trimethylammoniopropyl)phenyl ester, iodideT-189563981-66-8T 1895Ammonium, ((3-(N-methylcarbamoyloxy)-alpha-ethyl)benzyl)trimethyl-, iodideCarbamic acid, N-methyl-, 3-(alpha-dimethylaminopropyl)phenyl ester, methiodideAMMONIUM, ((3-HYDROXY-alpha-ETHYL)BENZYL)TRIMETHYL-, IODIDE, METHYLCARBAMATERefChem:382766
Database identifiers
- CAS
63981-66-8- PubChem CID
- 45985
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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