Emetonium

HCID 80085

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Basic information

CAS: 19213-48-0
Standard SMILES: CC[N+](C)(CC)CCOC(c1ccccc1)c1ccccc1
InChIKey: IHFMXHPNVAVTCJ-UHFFFAOYSA-N
Molecular formula: C20H28NO+
Average molar mass: 298.4 g/mol
Monoisotopic mass: 298.21708952

Overview

(2-benzhydryloxyethyl)diethyl-methylammonium iodide is a diarylmethane.

Names & identifiers

Preferred name: Emetonium
IUPAC: 2-benzhydryloxyethyl-diethyl-methylazanium

Names & synonyms

EmetoniumEmetonium [WHO-DD]19213-48-0UNII-VE7PHM5QLOVE7PHM5QLO2-benzhydryloxyethyl-diethyl-methylazaniumDiethyl(2-(diphenylmethoxy)ethyl)methylammoniumEthanaminium, 2-(diphenylmethoxy)-N,N-diethyl-N-methyl-CHEMBL3707205DTXSID20172778CHEBI:135943PD072236

Show more names

(2-BENZHYDRYLOXYETHYL)DIETHYL-METHYLAMMONIUMQ272917822-(Diphenylmethoxy)-N,N-diethyl-N-methylethan-1-aminium

Database identifiers

CAS: 19213-48-0
PubChem CID: 80085
DTXSID: DTXSID20172778
ChEMBL: CHEMBL3707205
ChEBI: CHEBI:135943
UNII: VE7PHM5QLO
Nikkaji: J221.267F

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 1
Complexity: 270

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