Ammonium, (o-bromobenzyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide

HCID 55702

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Basic information

CAS: 87415-53-0
Standard SMILES: C[N+](C)(Cc1ccccc1Br)CC(O)COc1cccc2ccccc12.[Br-]
InChIKey: HGYANRVNRYPPPR-UHFFFAOYSA-M
Molecular formula: C22H25Br2NO2
Average molar mass: 495.2 g/mol
Monoisotopic mass: 493.0252

Names & identifiers

Preferred name: Ammonium, (o-bromobenzyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, bromide
IUPAC: (2-bromophenyl)methyl-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium bromide

Names & synonyms

87415-53-0(o-Bromobenzyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)ammonium bromideAMMONIUM, (o-BROMOBENZYL)DIMETHYL(2-HYDROXY-3-(1-NAPHTHYLOXY)PROPYL)-, BROMIDERefChem:319041DTXSID301007545N-[(2-Bromophenyl)methyl]-2-hydroxy-N,N-dimethyl-3-[(naphthalen-1-yl)oxy]propan-1-aminium bromide

Database identifiers

CAS: 87415-53-0
PubChem CID: 55702
DTXSID: DTXSID301007545

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 430

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