1-(3-Carbamoyl-3,3-diphenylpropyl)-1,2,6-trimethylpiperidinium bromide
Basic information
- CAS
3270-76-6- Standard SMILES
CC1CCCC(C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
RLHQMCBHYQENAX-UHFFFAOYSA-N- Molecular formula
- C24H33BrN2O
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 444.17763
Names & identifiers
- Preferred name
- 1-(3-Carbamoyl-3,3-diphenylpropyl)-1,2,6-trimethylpiperidinium bromide
- IUPAC
- 2,2-diphenyl-4-(1,2,6-trimethylpiperidin-1-ium-1-yl)butanamide bromide
Names & synonyms
NIOSH/TN46944003270-76-6TN469440001-(3-Carbamoyl-3,3-diphenylpropyl)-1,2,6-trimethylpiperidinium bromidePiperidinium, 1-(3-carbamoyl-3,3-diphenylpropyl)-1,2,6-trimethyl-, bromideAC1MHQE0DTXSID70388706NSC14921NSC-149211-(4-Amino-4-oxo-3,3-diphenylbutyl)-1,2,6-trimethylpiperidin-1-ium bromide
Database identifiers
- CAS
3270-76-6- PubChem CID
- 3030656
- DTXSID
DTXSID70388706
Properties
Computed structural properties
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 463
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Compound notes
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