Basic information
- CAS
6252-92-2- Standard SMILES
C[N+]1(CCC(O)(c2ccccc2)c2cccs2)CCOCC1- InChIKey
HJDYAOBDPZQHOD-UHFFFAOYSA-N- Molecular formula
- C18H24NO2S+
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.15277518
Overview
Tiemonium is a quaternary ammonium ion.
Names & identifiers
- Preferred name
- Tiemonium
- IUPAC
- 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol
- English name
- 4-[3-hydroxy-3-phenyl-3-(2-thienyl)propyl]-4-methylmorpholine
- Molecular formula
- C18H24NO2S
- Molecular weight
- 318.46
Names & synonyms
Tiemonium6252-92-2TiemonumTiemonium ionTiemonium cationUNII-5Y5LZ9A0KV5Y5LZ9A0KVEINECS 228-380-5TIEMONIUM [WHO-DD]4-(3-HYDROXY-3-PHENYL-3-(2-THIENYL)PROPYL)-4-METHYL-MORPHOLINIUMRefChem:189976228-380-5
Show more names
tiemoniium4-[3-Hydroxy-3-phenyl-3-(2-thienyl)propyl]-4-methylmorpholiniumMorpholinium, 4-[3-hydroxy-3-phenyl-3-(2-thienyl)propyl]-4-methyl- (8CI, 9CI)
3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methylmorpholine4-[3-HYDROXY-3-PHENYL-3-(2-THIENYL)PROPYL]-4-METHYLMORPHOLINE4-[3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl]-4-methylmorpholin-4-iumSCHEMBL250702orb1702726CHEMBL2110651DTXSID50861820
Database identifiers
- CAS
6252-92-2- PubChem CID
- 5473
- DTXSID
DTXSID50861820- ChEMBL
CHEMBL2110651- ChEBI
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 353
Physicochemical properties
- pka
- 12.435 · 12.435±0.29(predicted)
- FDA UNII
- 5 Y5LZ9A0KV · 5Y5LZ9A0KV
Chemistry & industry
Suppliers4 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Tiemonium is an aralkylamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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