Ammonium, bis(3-(2,5-dimethyl-1-pyrrolidinyl)propyl)hexadecylmethyl-, bromide, tartrate (1:2)
Basic information
- CAS
26837-71-8- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(C)CCC1C)CCCN1C(C)CCC1C.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Br-]- InChIKey
FEQQAVSIMFERKE-UHFFFAOYSA-M- Molecular formula
- C43H84BrN3O12
- Average molar mass
- 915 g/mol
- Monoisotopic mass
- 913.52384
Names & identifiers
- Preferred name
- Ammonium, bis(3-(2,5-dimethyl-1-pyrrolidinyl)propyl)hexadecylmethyl-, bromide, tartrate (1:2)
- IUPAC
- bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methylazanium;bis(2,3-dihydroxybutanedioic acid);bromide
Names & synonyms
26837-71-8N-Methyl N-cetyl bis(3-(2',5'-dimethyl-1-pyrrolidinyl)propyl)ammonium bromide ditartrateAmmonium, bis(3-(2,5-dimethyl-1-pyrrolidinyl)propyl)hexadecylmethyl-, bromide, tartrate (1:2)RefChem:319186
Database identifiers
- CAS
26837-71-8- PubChem CID
- 33622
Properties
Computed structural properties
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 29
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 647
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Compound notes
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