Basic information
- CAS
63981-64-6- Standard SMILES
CNC(=O)Oc1ccc(C)cc1C(C)[N+](C)(C)C.[I-]- InChIKey
CTTJXBVSUXQHTQ-UHFFFAOYSA-N- Molecular formula
- C14H23IN2O2
- Average molar mass
- 378.25 g/mol
- Monoisotopic mass
- 378.08043
Names & identifiers
- Preferred name
- Ammonium, ((2-hydroxy-alpha,5-dimethyl)benzyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[1-[5-methyl-2-(methylcarbamoyloxy)phenyl]ethyl]azanium iodide
Names & synonyms
T-184663981-64-6Ammonium, ((2-hydroxy-alpha,5-dimethyl)benzyl)trimethyl-, iodide, methylcarbamateAmmonium, (1-(2-hydroxy-5-methylphenyl)ethyl)trimethyl-, iodide, methylcarbamateAmmonium, ((1-(2-methylcarbamoyloxy)-5-methylphenyl)ethyl)trimethyl-, iodideAmmonium, ((alpha,5-dimethyl-2-hydroxy)benzyl)trimethyl-, iodide, methylcarbamateCarbamic acid, methyl-, 2-(1-(trimethylammonio)ethyl)-p-tolyl ester, iodideCarbamic acid, N-methyl-, 2-(alpha-dimethylaminoethyl)-, 4-methylphenyl ester, methiodideRefChem:318624
Database identifiers
- CAS
63981-64-6- PubChem CID
- 45981
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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