Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide
Basic information
- CAS
7176-52-5- Standard SMILES
CC[N+](C)(CC)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1.[Br-]- InChIKey
STTUXTYKONPGEP-UHFFFAOYSA-M- Molecular formula
- C20H26BrN3O3
- Average molar mass
- 436.3 g/mol
- Monoisotopic mass
- 435.11575
Names & identifiers
- Preferred name
- Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide
- IUPAC
- diethyl-methyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]azanium bromide
Names & synonyms
Diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)ammonium bromide7176-52-5Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromideRefChem:319283DTXSID50992401N,N-Diethyl-N-methyl-2-(4-nitro-N-phenylbenzamido)ethan-1-aminium bromideN,N-Diethyl-N-methyl-2-[(4-nitrobenzoyl)(phenyl)amino]ethan-1-aminium bromide
Database identifiers
- CAS
7176-52-5- PubChem CID
- 201944
- DTXSID
DTXSID50992401
Properties
Computed structural properties
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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