Basic information
- CAS
7361-35-5- Standard SMILES
C[N+]1(CCCCOC(=O)C2C(c3ccccc3)C(C(=O)OCCCC[N+]3(C)CCCCC3)C2c2ccccc2)CCCCC1.[I-].[I-]- InChIKey
GPHZUTDOLSUYOQ-UHFFFAOYSA-L- Molecular formula
- C38H56I2N2O4
- Average molar mass
- 858.7 g/mol
- Monoisotopic mass
- 858.23295
Names & identifiers
- Preferred name
- 1,1'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxybutane-4,1-diyl))bis(1-methylpiperidin-1-ium) diiodide
- IUPAC
- bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
Names & synonyms
7361-35-5DTXSID809943971,1'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxybutane-4,1-diyl))bis(1-methylpiperidin-1-ium) diiodide1,1'-[(2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxybutane-4,1-diyl)]bis(1-methylpiperidin-1-ium) diiodideRefChem:1051483DTXCID101421432TruxyloniumTruxillonium7387-90-8Piperidinium, 1-(4-hydroxybutyl)-1-methyl-, iodide, 2,4-diphenyl-1,3-cyclobutanedicarboxylate (2:1), cis-2,trans-3,trans-4-Piperidinium, 1-(4-hydroxybutyl)-1-methyl-, iodide, ester with (cis-1,2,cis-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
Database identifiers
- CAS
7361-35-5、7387-90-8- PubChem CID
- 202046
- DTXSID
DTXSID80994397
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 799
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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