1-Methyl-1-(3-oxo-3-(2-(trimethylazaniumyl)ethoxy)propyl)piperidin-1-ium diiodide
Basic information
- CAS
37637-79-9- Standard SMILES
C[N+](C)(C)CCOC(=O)CC[N+]1(C)CCCCC1.[I-].[I-]- InChIKey
HPZYZVSMMLCTGY-UHFFFAOYSA-L- Molecular formula
- C14H30I2N2O2
- Average molar mass
- 512.21 g/mol
- Monoisotopic mass
- 512.03967
Names & identifiers
- Preferred name
- 1-Methyl-1-(3-oxo-3-(2-(trimethylazaniumyl)ethoxy)propyl)piperidin-1-ium diiodide
- IUPAC
- trimethyl-[2-[3-(1-methylpiperidin-1-ium-1-yl)propanoyloxy]ethyl]azanium diiodide
Names & synonyms
37637-79-9DTXSID509586881-Methyl-1-(3-oxo-3-(2-(trimethylazaniumyl)ethoxy)propyl)piperidin-1-ium diiodide1-Methyl-1-{3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl}piperidin-1-ium diiodideRefChem:1055728DTXCID0013865861-(2-Carboxyethyl)-1-methylpiperidinium iodide ester with choline iodideNIOSH/TN5953150Piperidinium, 1-(2-carboxyethyl)-1-methyl-, iodide, ester with choline iodideTN595315002-(Trimethylammonio)ethyl 3-(1-methylpiperidinio)propionate diiodideCholine, iodide, ester with 1-(2-carboxyethyl)-1-methylpiperidinium iodide
Show more names
1-Methyl-1-(3-oxo-3-(2-(trimethylammonio)ethoxy)propyl)piperidinium diiodidePiperidinium, 1-methyl-1-(3-oxo-3-(2-(trimethylammonio)ethoxy)propyl)-, diiodide
Database identifiers
- CAS
37637-79-9- PubChem CID
- 216718
- DTXSID
DTXSID50958688
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 265
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Compound notes
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