Pyrrolidinium, 2-((5-chloro-4-hydroxy-o-anisamido)methyl)-1-ethyl-1-methyl-, bromide
Basic information
- CAS
28478-49-1- Standard SMILES
CC[N+]1(C)CCCC1CNC(=O)c1cc(Cl)c(O)cc1OC.[Br-]- InChIKey
ZSFNTERQOJPYJW-UHFFFAOYSA-N- Molecular formula
- C16H24BrClN2O3
- Average molar mass
- 407.7 g/mol
- Monoisotopic mass
- 406.06588
Names & identifiers
- Preferred name
- Pyrrolidinium, 2-((5-chloro-4-hydroxy-o-anisamido)methyl)-1-ethyl-1-methyl-, bromide
- IUPAC
- 5-chloro-N-[(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-methoxybenzamide bromide
Names & synonyms
28478-49-12-((5-Chloro-4-hydroxy-o-anisamido)methyl)-1-ethyl-1-methylpyrrolidinium bromideN-(1-Ethyl-2-pyrrolidylmethyl)-2-methoxy-4-hydroxy-5-chlorobenzamide bromomethylatePyrrolidinium, 2-((5-chloro-4-hydroxy-o-anisamido)methyl)-1-ethyl-1-methyl-, bromideRefChem:378164
Database identifiers
- CAS
28478-49-1- PubChem CID
- 206707
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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