Basic information
- CAS
2624-50-2- Standard SMILES
CC12CCC(C[N+](C)(CCC[N+](C)(C)C)C1)C2(C)C- InChIKey
GPUGLFZXYGTLBI-UHFFFAOYSA-N- Molecular formula
- C17H36N2+2
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 268.28784916
Overview
Trimethidinium is a member of azepanes.
Names & identifiers
- Preferred name
- 1,3,8,8-Tetramethyl-3-(3-(trimethylammonio)propyl)-3-azoniabicyclo(3.2.1)octane
- IUPAC
- trimethyl-[3-(1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octan-3-yl)propyl]azanium
- English name
- trimethidinium
- Molecular weight
- 0
Names & synonyms
TrimethidiniumTrimethideniumTrimethidinium ionTrimethidinium cation2624-50-2FZ7142TV3JDTXSID00484241,3,8,8-TETRAMETHYL-3-(3-(TRIMETHYLAMMONIO)PROPYL)-3-AZONIABICYCLO(3.2.1)OCTANERefChem:191736DTXCID8028397trimethyl-[3-(1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octan-3-yl)propyl]azaniumNCGC00160374-01
Show more names
UNII-FZ7142TV3JSCHEMBL317314CHEMBL1708232CHEBI:135103STL552870AKOS000541703AKOS0219833591,3,8,8-TETRAMETHYL-3-[3-(TRIMETHYLAZANIUMYL)PROPYL]-3-AZABICYCLO[3.2.1]OCTAN-3-IUM
Database identifiers
- CAS
2624-50-2- PubChem CID
- 26484
- DTXSID
DTXSID0048424- ChEMBL
CHEMBL1708232- ChEBI
CHEBI:135103- UNII
- FZ7142TV3J
- Nikkaji
- J215.901E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 2
- Complexity
- 342
Physicochemical properties
- FDA UNII
- 7142 TV3J · FZ7142TV3J
Chemistry & industry
Additional notes
DefinitionChEBI: Trimethidinium is a member of azepanes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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