1-Heptanaminium, N,N'-((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-, diiodide
Basic information
- CAS
95521-18-9- Standard SMILES
CCCCCCC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CCCCCCC.[I-].[I-]- InChIKey
VJABPJBSDMZRDS-UHFFFAOYSA-L- Molecular formula
- C26H54I2N2O4
- Average molar mass
- 712.5 g/mol
- Monoisotopic mass
- 712.2173
Names & identifiers
- Preferred name
- 1-Heptanaminium, N,N'-((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-, diiodide
- IUPAC
- heptyl-[2-[4-[2-[heptyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium diiodide
Names & synonyms
95521-18-91-Heptanaminium, N,N'-((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-, diiodideN,N'-((1,4-Dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-1-heptanaminium) 2IRefChem:230631heptyl-[2-[4-[2-[heptyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium diiodideDTXSID609149521-Heptanaminium, N,N-((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-, diiodide, N,N-((1,4-Dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-1-heptanaminium) 2I, AC1L1LZJ, LS-74292, 95521-18-9, heptyl-[2-[4-[2-[heptyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium diiodideN,N'-[(1,4-Dioxobutane-1,4-diyl)bis(oxyethane-2,1-diyl)]bis(N,N-dimethylheptan-1-aminium) diiodide
Database identifiers
- CAS
95521-18-9- PubChem CID
- 56936
- DTXSID
DTXSID60914952
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 23
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 448
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Compound notes
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