Ammonium, (2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)trimethyl-, bromide

HCID 33280

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Basic information

CAS: 26058-53-7
Standard SMILES: CN(CC[N+](C)(C)C)C(=O)C(O)(c1ccccc1)c1cccs1.[Br-]
InChIKey: BTCFOBIAIRSFFQ-UHFFFAOYSA-M
Molecular formula: C18H25BrN2O2S
Average molar mass: 413.4 g/mol
Monoisotopic mass: 412.08201

Names & identifiers

Preferred name: Ammonium, (2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)trimethyl-, bromide
IUPAC: 2-[(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-methylamino]ethyl-trimethylazanium bromide

Names & synonyms

FC 11926058-53-7Ammonium, (2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)trimethyl-, bromideRefChem:318758DTXSID009489382-[2-Hydroxy-N-methyl-2-phenyl-2-(thiophen-2-yl)acetamido]-N,N,N-trimethylethan-1-aminium bromide2-{[Hydroxy(phenyl)(thiophen-2-yl)acetyl](methyl)amino}-N,N,N-trimethylethan-1-aminium bromide

Database identifiers

CAS: 26058-53-7
PubChem CID: 33280
DTXSID: DTXSID00948938

Properties

Computed structural properties

Topological polar surface area: 68.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 404

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