Piperidinium, 1-(7-hydroxyheptyl)-1-methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
Basic information
- CAS
10584-83-5- Standard SMILES
C1CC[NH2+]CC1.C1CC[NH2+]CC1.O=C(OCCCCCCCC(I)I)C1C(c2ccccc2)C(C(=O)OCCCCCCCC(I)I)C1c1ccccc1- InChIKey
BLFDANUHQRIHKX-UHFFFAOYSA-P- Molecular formula
- C44H68I4N2O4+2
- Average molar mass
- 1,196.6 g/mol
- Monoisotopic mass
- 1,196.1358
Names & identifiers
- Preferred name
- Piperidinium, 1-(7-hydroxyheptyl)-1-methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
- IUPAC
- bis(8,8-diiodooctyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate;bis(piperidin-1-ium)
Names & synonyms
10584-83-5Piperidinium, 1-(7-hydroxyheptyl)-1-methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)DTXSID00147363RefChem:373458DTXCID8069854
Database identifiers
- CAS
10584-83-5- PubChem CID
- 202525
- DTXSID
DTXSID00147363
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 54
- Formal charge
- 2
- Complexity
- 709
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Compound notes
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