Ammonium, (6-hydroxythymyl)trimethyl-, iodide, 4-morpholin carboxylate
Basic information
- CAS
64050-91-5- Standard SMILES
Cc1ccc(C(C)C)c([N+](C)(C)C)c1OC(=O)N1CCOCC1.[I-]- InChIKey
RBXGHPSVPLTYTG-UHFFFAOYSA-M- Molecular formula
- C18H29IN2O3
- Average molar mass
- 448.3 g/mol
- Monoisotopic mass
- 448.12229
Names & identifiers
- Preferred name
- Ammonium, (6-hydroxythymyl)trimethyl-, iodide, 4-morpholin carboxylate
- IUPAC
- trimethyl-[3-methyl-2-(morpholine-4-carbonyloxy)-6-propan-2-ylphenyl]azanium iodide
Names & synonyms
TL-7764-Morpholinecarboxylic acid, 5-(trimethylammonio)carvacryl ester, iodide64050-91-5Ammonium, (6-(morpholinocarbonyloxy)thymyl)trimethyl ester, iodideAMMONIUM, (6-HYDROXYTHYMYL)TRIMETHYL-, IODIDE, 4-MORPHOLIN CARBOXYLATECarbamic acid, N,N-diethyleneoxy-, 4-dimethylaminocarvacryl ester, methiodideRefChem:318963DTXSID10982424N,N,N,3-Tetramethyl-2-[(morpholine-4-carbonyl)oxy]-6-(propan-2-yl)anilinium iodide
Database identifiers
- CAS
64050-91-5- PubChem CID
- 47034
- DTXSID
DTXSID10982424
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
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Compound notes
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