Ammonium, (p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide

HCID 55698

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Basic information

CAS: 87415-51-8
Standard SMILES: C[N+](C)(CC(=O)c1ccc(Br)cc1)CC(O)COc1cccc2ccccc12.[Br-]
InChIKey: SPJIXNAXZLMRAI-UHFFFAOYSA-M
Molecular formula: C23H25Br2NO3
Average molar mass: 523.3 g/mol
Monoisotopic mass: 521.02012

Names & identifiers

Preferred name: Ammonium, (p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide
IUPAC: [2-(4-bromophenyl)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium bromide

Names & synonyms

(p-Bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)ammonium bromide87415-51-8AMMONIUM, (p-BROMOPHENACYL)DIMETHYL(2-HYDROXY-3-(1-NAPHTHYLOXY)PROPYL)-, BROMIDERefChem:319066DTXSID901007543N-[2-(4-Bromophenyl)-2-oxoethyl]-2-hydroxy-N,N-dimethyl-3-[(naphthalen-1-yl)oxy]propan-1-aminium bromide

Database identifiers

CAS: 87415-51-8
PubChem CID: 55698
DTXSID: DTXSID901007543

Properties

Computed structural properties

Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 504

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