Pyrrolidinium, 1-(3-(9-hydroxyfluoren-9-yl)-2-propynyl)-1-methyl-, bromide
Basic information
- CAS
100086-87-1- Standard SMILES
C[N+]1(CC#CC2(O)c3ccccc3-c3ccccc32)CCCC1.[Br-]- InChIKey
DLXHZCAMEKDLMU-UHFFFAOYSA-M- Molecular formula
- C21H22BrNO
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.08848
Names & identifiers
- Preferred name
- Pyrrolidinium, 1-(3-(9-hydroxyfluoren-9-yl)-2-propynyl)-1-methyl-, bromide
- IUPAC
- 9-[3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-ynyl]fluoren-9-ol bromide
Names & synonyms
1-(3-(9-Hydroxyfluoren-9-yl)-2-propynyl)-1-methylpyrrolidinium bromide100086-87-1Pyrrolidinium, 1-(3-(9-hydroxyfluoren-9-yl)-2-propynyl)-1-methyl-, bromideRefChem:378141DTXSID409052021-[3-(9-HYDROXY-9H-FLUOREN-9-YL)PROP-2-YN-1-YL]-1-METHYLPYRROLIDIN-1-IUM BROMIDE
Database identifiers
- CAS
100086-87-1- PubChem CID
- 3063201
- DTXSID
DTXSID40905202
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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