trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium
Basic information
- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)C- InChIKey
NACAOHGUILYSHM-SEYXRHQNSA-O- Molecular formula
- C24H49N2O+
- Average molar mass
- 381.7 g/mol
- Monoisotopic mass
- 381.38448919
Names & identifiers
- Preferred name
- trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium
- IUPAC
- trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium
Names & synonyms
SCHEMBL31686813DTXSID901357419Amidopropyl alkyl trimethylammonium compound C18 unsatd (apATMAC C18 unsatd)
Database identifiers
- PubChem CID
- 6912973
- DTXSID
DTXSID901357419- Nikkaji
- J36.604H
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 19
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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