Pirralkonium
Basic information
- CAS
17794-63-7- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(C)CCC1C)CCCN1C(C)CCC1C- InChIKey
VMIYNXFWQJSJDA-UHFFFAOYSA-N- Molecular formula
- C35H72N3+
- Average molar mass
- 535 g/mol
- Monoisotopic mass
- 534.57262431
Names & identifiers
- Preferred name
- Pirralkonium
- IUPAC
- bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methylazanium
Names & synonyms
PirralkoniumPirralkonium ionPirralkonium cationUNII-T0Y37N2R7OT0Y37N2R7O17794-63-7Bis(3-(2,5-dimethyl-1-pyrrolidinyl)propyl)hexadecylmethylammoniumAmmonium, bis(3-(2,5-dimethyl-1-pyrrolidinyl)propyl)hexadecylmethyl-1-Pyrrolidinepropanaminium, N-(3-(2,5-dimethyl-1-pyrrolidinyl)propyl)-N-hexadecyl-n,2,5-trimethyl-RefChem:174571CHEMBL2110993SCHEMBL29385741
Show more names
Q27289522
Database identifiers
- CAS
17794-63-7- PubChem CID
- 33623
- ChEMBL
CHEMBL2110993- UNII
- T0Y37N2R7O
- Nikkaji
- J238.024B
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 38
- Formal charge
- 1
- Complexity
- 513
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Related reactions
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Compound notes
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