4-Hydroxy-N,N,N-trimethyl-4-phenyl-4-(pyridin-2-yl)but-2-yn-1-aminium bromide
Basic information
- CAS
2110-33-0- Standard SMILES
C[N+](C)(C)CC#CC(O)(c1ccccc1)c1ccccn1.[Br-]- InChIKey
ITUWZGNLDNDFGV-UHFFFAOYSA-M- Molecular formula
- C18H21BrN2O
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 360.08373
Names & identifiers
- Preferred name
- 4-Hydroxy-N,N,N-trimethyl-4-phenyl-4-(pyridin-2-yl)but-2-yn-1-aminium bromide
- IUPAC
- (4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-trimethylazanium bromide
Names & synonyms
2110-33-0DTXSID709434154-Hydroxy-N,N,N-trimethyl-4-phenyl-4-(pyridin-2-yl)but-2-yn-1-aminium bromideRefChem:1070808DTXCID301371784(4-Hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)trimethylammonium bromideAMMONIUM, (4-HYDROXY-4-PHENYL-4-(2-PYRIDYL)-2-BUTYNYL)TRIMETHYL-, BROMIDE
Database identifiers
- CAS
2110-33-0- PubChem CID
- 16429
- DTXSID
DTXSID70943415
Properties
Computed structural properties
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
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Compound notes
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