Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCN1CCCC1=O.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
XKDPRXJUMQWNDE-UHFFFAOYSA-M- Molecular formula
- C34H62N2O4S
- Average molar mass
- 594.9 g/mol
- Monoisotopic mass
- 594.44302964
Names & identifiers
- Preferred name
- Octadecyldimethyl [3-(2-pyrrolidonyl)propyl]ammonium tosylate
- IUPAC
- dimethyl-octadecyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;4-methylbenzenesulfonate
Names & synonyms
SCHEMBL9821063XKDPRXJUMQWNDE-UHFFFAOYSA-Moctadecyldimethyl [3-(2-pyrrolidonyl)propyl]ammonium tosylate
Database identifiers
- PubChem CID
- 86743541
Properties
Computed structural properties
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 601
Related reactions
1 records
Compound notes
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