Ammonium, (1-((2-benzylphenoxy)methyl)ethyl)diethylmethyl-, iodide

HCID 23780

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Basic information

CAS: 7347-87-7
Standard SMILES: CC[N+](C)(CC)C(C)COc1ccccc1Cc1ccccc1.[I-]
InChIKey: SXXBSHKEMPRZDI-UHFFFAOYSA-M
Molecular formula: C21H30INO
Average molar mass: 439.4 g/mol
Monoisotopic mass: 439.13721

Names & identifiers

Preferred name: Ammonium, (1-((2-benzylphenoxy)methyl)ethyl)diethylmethyl-, iodide
IUPAC: 1-(2-benzylphenoxy)propan-2-yl-diethyl-methylazanium iodide

Names & synonyms

7347-87-7AMMONIUM, (1-((2-BENZYLPHENOXY)METHYL)ETHYL)DIETHYLMETHYL-, IODIDERefChem:1076687(1-((2-Benzylphenoxy)methyl)ethyl)diethylmethylammonium iodideDTXSID109942241-(2-Benzylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide

Database identifiers

CAS: 7347-87-7
PubChem CID: 23780
DTXSID: DTXSID10994224

Properties

Computed structural properties

Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 320

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