Ammonium, diethyl((N-(3-hydroxy-2-pyridyl)methyl-N-phenylamino)ethyl)methyl-, bromide, dimethylcarbamate (ester), methanoate

Substructure search Find similar structures

Basic information

CAS: 74203-53-5
Standard SMILES: CC[N+](C)(CC)CC[NH+](Cc1ncccc1OC(=O)N(C)C)c1ccccc1.C[O-].[Br-]
InChIKey: XTOXOUGYKULAGY-UHFFFAOYSA-N
Molecular formula: C23H37BrN4O3
Average molar mass: 497.5 g/mol
Monoisotopic mass: 496.2049

Names & identifiers

Preferred name: Ammonium, diethyl((N-(3-hydroxy-2-pyridyl)methyl-N-phenylamino)ethyl)methyl-, bromide, dimethylcarbamate (ester), methanoate
IUPAC: 2-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-phenylazaniumyl]ethyl-diethyl-methylazanium;methanolate;bromide

Names & synonyms

74203-53-5Ammonium, diethyl((N-(3-hydroxy-2-pyridyl)methyl-N-phenylamino)ethyl)methyl-, bromide, dimethylcarbamate (ester), methanoateRefChem:1076865Ro 2-2267

Database identifiers

CAS: 74203-53-5
PubChem CID: 52977

Properties

Computed structural properties

Topological polar surface area: 69.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 31
Formal charge: 0
Complexity: 463

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…