Basic information
- CAS
35035-05-3- Standard SMILES
COC1CC(=C(c2cccs2)c2cccs2)C[N+](C)(C)C1- InChIKey
PDYOTUCJOLELJU-UHFFFAOYSA-N- Molecular formula
- C17H22NOS2+
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.11428167
Overview
See also: Timepidium Bromide (active moiety of).
Names & identifiers
- Preferred name
- Timepidium
- IUPAC
- 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium
- English name
- timepidium
- Molecular formula
- C17H22NOS2
- Molecular weight
- 0
Names & synonyms
TimepidiumTimepidium ionTimepidium cation97094-64-9UNII-C1WS2XH3K4C1WS2XH3K43-(Di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-piperidiniumTIMEPIDIUM [WHO-DD]DTXSID8048284Piperidinium, 3-(di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-3-[bis(thiophen-2-yl)methylidene]-5-methoxy-1,1-dimethylpiperidin-1-ium3-(bis(thiophen-2-yl)methylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium
Show more names
3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-iumPiperidinium, 3-(di-2-thienylmethylene)-5-methoxy-1,1-dimethyl- (9CI)
RefChem:190030DTXCID90282593-(Di(thiophen-2-yl)methylene)-5-methoxy-1,1-dimethylpiperidin-1-iumPiperidinium,3-(di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-, bromide (1:1)SA 504NCGC00181009-01SCHEMBL250086SA 50Y
Database identifiers
- CAS
35035-05-3、97094-64-9
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 390
Physicochemical properties
- FDA UNII
- 1 WS2XH3K4 · C1WS2XH3K4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…