Carboxymethyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium
Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O- InChIKey
ZKWJQNCOTNUNMF-UHFFFAOYSA-O- Molecular formula
- C25H49N2O3+
- Average molar mass
- 425.7 g/mol
- Monoisotopic mass
- 425.37431843
Names & identifiers
- Preferred name
- Carboxymethyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium
- IUPAC
- carboxymethyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium
Names & synonyms
DTXSID00865176carboxymethyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azaniumN-(Carboxymethyl)-N,N-dimethyl-3-(octadec-9-enamido)propan-1-aminiumN-(Carboxymethyl)-N,N-dimethyl-3-[(octadec-9-enoyl)amino]propan-1-aminium
Database identifiers
- PubChem CID
- 90699
- DTXSID
DTXSID00865176
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 461
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Compound notes
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