Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCO)OC.[Br-]- InChIKey
BMRNYEPIAKPKQD-UHFFFAOYSA-M- Molecular formula
- C24H52BrNO2S
- Average molar mass
- 498.6 g/mol
Names & identifiers
- Preferred name
- (3-Hexadecylsulfanyl-2-methoxy-propyl)-(2-hydroxyethyl)-dimethyl-ammonium
- IUPAC
- (3-hexadecylsulfanyl-2-methoxypropyl)-(2-hydroxyethyl)-dimethylazanium bromide
Names & synonyms
CHEMBL28293SCHEMBL8198354BMRNYEPIAKPKQD-UHFFFAOYSA-M(3-hexadecylsulfanyl-2-methoxy-propyl)-(2-hydroxyethyl)-dimethyl-ammonium(+/-)-3-hexadecylthio-2-methoxy-N,N-dimethyl-N-beta-hydroxyethyl-1-propyl ammonium bromide(+/-)-1-Propanaminium,3-(hexadecylthio)-N-(2-hydroxyethyl)-2-methoxy-N,N-dimethyl-,bromide(+/-)-3-hexadecylthio-2-methoxy-N, N-dimethyl-N-beta-hydroxyethyl-1-propyl ammonium bromide(+/-)-3-hexadecylthio-2-methoxy-N,N-dimethyl-N-beta-hydroxyethyl-1 -propyl ammonium bromide
Database identifiers
- PubChem CID
- 451658
- ChEMBL
CHEMBL28293
Properties
Computed structural properties
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 313
Related reactions
3 records
Compound notes
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