Basic information
- CAS
26058-52-6- Standard SMILES
CN(CC[N+]1(C)CCCC1)C(=O)C(O)(c1cccs1)c1cccs1.[Br-]- InChIKey
MOAOBWHSIHVXRC-UHFFFAOYSA-M- Molecular formula
- C18H25BrN2O2S2
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 444.05408
Names & identifiers
- Preferred name
- Pyrrolidinium, 1-(2-(alpha,alpha-di(2-thienyl)-alpha-hydroxy-N-methylacetamido)ethyl)-1-methyl-, bromide
- IUPAC
- 2-hydroxy-N-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2,2-dithiophen-2-ylacetamide bromide
Names & synonyms
FC 10926058-52-6Pyrrolidinium, 1-(2-(alpha,alpha-di(2-thienyl)-alpha-hydroxy-N-methylacetamido)ethyl)-1-methyl-, bromidePyrrolidinium, 1-methyl-1-(2-(N-methyl-2,2-di-2-thienylglycolamido)ethyl)-, bromideRefChem:378134DTXSID409489371-(2-{[Hydroxydi(thiophen-2-yl)acetyl](methyl)amino}ethyl)-1-methylpyrrolidin-1-ium bromide1-{2-[2-Hydroxy-N-methyl-2,2-di(thiophen-2-yl)acetamido]ethyl}-1-methylpyrrolidin-1-ium bromide
Database identifiers
- CAS
26058-52-6- PubChem CID
- 213293
- DTXSID
DTXSID40948937
Properties
Computed structural properties
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…