Basic information
- CAS
64046-04-4- Standard SMILES
CNC(=O)Oc1ccc(CCC(C)[N+](C)(C)C)cc1.[I-]- InChIKey
NUXIIIQILGTBNH-UHFFFAOYSA-N- Molecular formula
- C15H25IN2O2
- Average molar mass
- 392.28 g/mol
- Monoisotopic mass
- 392.09608
Names & identifiers
- Preferred name
- Ammonium, (4-(4-hydroxyphenyl)-sec-butyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[4-[4-(methylcarbamoyloxy)phenyl]butan-2-yl]azanium iodide
Names & synonyms
64046-04-4Carbamic acid, methyl-, 4-(3-(trimethylammonio)butyl)phenyl ester, iodideAmmonium, (4-(4-(methylcarbamoyloxy)phenyl)-sec-butyl)trimethyl-, iodideCarbamic acid, N-methyl-, 4-(gamma-dimethylamino-n-butyl)phenyl ester, methiodideAMMONIUM, (4-(4-HYDROXYPHENYL)-sec-BUTYL)TRIMETHYL-, IODIDE, METHYLCARBAMATERefChem:318905T 1982
Database identifiers
- CAS
64046-04-4- PubChem CID
- 46559
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
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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