Ammonium, (2-(benziloylamino)ethyl)diethylmethyl-, iodide

HCID 59252

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Basic information

CAS: 102214-85-7
Standard SMILES: CC[N+](C)(CC)CCNC(=O)C(O)(c1ccccc1)c1ccccc1.[I-]
InChIKey: XYVZCDXGAKQSIE-UHFFFAOYSA-N
Molecular formula: C21H29IN2O2
Average molar mass: 468.4 g/mol
Monoisotopic mass: 468.12738

Names & identifiers

Preferred name: Ammonium, (2-(benziloylamino)ethyl)diethylmethyl-, iodide
IUPAC: diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]ethyl]-methylazanium iodide

Names & synonyms

(2-Benzilamidoethyl)diethylmethylammonium iodide(2-(Benziloylamino)ethyl)diethylmethylammonium iodideAMMONIUM, (2-(BENZILOYLAMINO)ETHYL)DIETHYLMETHYL-, IODIDE102214-85-7RefChem:318759CHEMBL1989520NSC659154NSC-659154

Database identifiers

CAS: 102214-85-7
PubChem CID: 59252
ChEMBL: CHEMBL1989520

Properties

Computed structural properties

Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 390

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