Basic information
- CAS
55618-74-1- Standard SMILES
CCCCCCCCCOC(=O)C[N+]1(C/C=C(\C)Cc2ccc(-c3ccc(C/C(C)=C/C[N+]4(CC(=O)OCCCCCCCCC)CCCCC4)cc3)cc2)CCCCC1.[Cl-].[Cl-]- InChIKey
XLNRTILNHWZTBD-AFAUANEASA-L- Molecular formula
- C54H86Cl2N2O4
- Average molar mass
- 898.2 g/mol
- Monoisotopic mass
- 896.5964646
Names & identifiers
- Preferred name
- Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, dinonyl ester
- IUPAC
- nonyl 2-[1-[(E)-3-methyl-4-[4-[4-[(E)-2-methyl-4-[1-(2-nonoxy-2-oxoethyl)piperidin-1-ium-1-yl]but-2-enyl]phenyl]phenyl]but-2-enyl]piperidin-1-ium-1-yl]acetate dichloride
Names & synonyms
55618-74-1Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, dinonyl esterRefChem:1096266
Database identifiers
- CAS
55618-74-1- PubChem CID
- 6446239
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 31
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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