Basic information
- CAS
66393-10-0- Standard SMILES
C[C@H]1CC[N+]2(CC(=O)c3ccc(-c4ccccc4)cc3)CCC[C@@H]12.[Br-]- InChIKey
IIYGYAUXNKVHLM-RNIPOHINSA-M- Molecular formula
- C22H26BrNO
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 399.11978
Names & identifiers
- Preferred name
- 1H-Pyrrolizinium, hexahydro-4-(2-(1,1'-biphenyl)-4-yl-2-oxoethyl)-1-methyl-, bromide, (1S-(1-alpha,7a-beta))-
- IUPAC
- 2-[(1S,8S)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]-1-(4-phenylphenyl)ethanone bromide
- English name
- N-4-Phenylphenacyl ehliotridanium bromide
- Molecular formula
- C22H26BrNO
- Molecular weight
- 400.36
Names & synonyms
N-4-Phenylphenacyl ehliotridanium bromide66393-10-01H-Pyrrolizinium, hexahydro-4-(2-(1,1'-biphenyl)-4-yl-2-oxoethyl)-1-methyl-, bromide, (1S-(1-alpha,7a-beta))-RefChem:240738DTXSID909850394-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1-methylhexahydro-1H-pyrrolizin-4-ium bromide(1S,7aS)-4-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1-methylhexahydro-1H-pyrrolizin-4-ium bromide
Database identifiers
- CAS
66393-10-0- PubChem CID
- 3050436
- DTXSID
DTXSID90985039
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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