(3-Hexadecylsulfanyl-2-methoxy-propyl)-trimethyl-ammonium

HCID 467804

Notes Reactions

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Basic information

Standard SMILES: CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)C)OC.[Br-]
InChIKey: DZGCAEYCURLBHR-UHFFFAOYSA-M
Molecular formula: C23H50BrNOS
Average molar mass: 468.6 g/mol

Names & identifiers

Preferred name: (3-Hexadecylsulfanyl-2-methoxy-propyl)-trimethyl-ammonium
IUPAC: (3-hexadecylsulfanyl-2-methoxypropyl)-trimethylazanium bromide

Names & synonyms

CHEMBL28893SCHEMBL8911987DZGCAEYCURLBHR-UHFFFAOYSA-MCP-19(3-hexadecylsulfanyl-2-methoxy-propyl)-trimethyl-ammonium(+/-)-3-hexadecylthio-2-methoxy-N,N,N-trimethyl-1-propyl ammonium bromide1-Propanaminium,3-(hexadecylthio)-2-methoxy-N,N,N-trimethyl-,bromide,(.+-.)-(9Cl)

Database identifiers

PubChem CID: 467804
ChEMBL: CHEMBL28893

Properties

Computed structural properties

Topological polar surface area: 34.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 20
Heavy atoms: 27
Formal charge: 0
Complexity: 278

Related reactions

1 records

New reaction record

HRID 977290As productuspto-grants-1997_03

Compound notes

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