Piperidinium, 1-methyl-1-(2-(3-(2-methyl-4-(1-methylpiperidinium-1-ylmethyl)-2-dioxolanyl)propionyloxy)ethyl)-, diiodide
Basic information
- CAS
41040-80-6- Standard SMILES
CC1(CCC(=O)OCC[N+]2(C)CCCCC2)OCC(C[N+]2(C)CCCCC2)O1.[I-].[I-]- InChIKey
MSYPXIMSWGKTMW-UHFFFAOYSA-L- Molecular formula
- C22H42I2N2O4
- Average molar mass
- 652.4 g/mol
- Monoisotopic mass
- 652.1234
Names & identifiers
- Preferred name
- Piperidinium, 1-methyl-1-(2-(3-(2-methyl-4-(1-methylpiperidinium-1-ylmethyl)-2-dioxolanyl)propionyloxy)ethyl)-, diiodide
- IUPAC
- 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-[2-methyl-4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]propanoate diiodide
Names & synonyms
41040-80-6Piperidinium, 1-methyl-1-(2-(3-(2-methyl-4-(1-methylpiperidinium-1-ylmethyl)-2-dioxolanyl)propionyloxy)ethyl)-, diiodideRefChem:373492DTXSID009614051-Methyl-1-[(2-methyl-2-{3-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]-3-oxopropyl}-1,3-dioxolan-4-yl)methyl]piperidin-1-ium diiodide
Database identifiers
- CAS
41040-80-6- PubChem CID
- 218665
- DTXSID
DTXSID00961405
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 515
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Related reactions
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Compound notes
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