Enisamium

HCID 2132298

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Basic information

CAS: 116533-18-7
Standard SMILES: C[n+]1ccc(C(=O)NCc2ccccc2)cc1
InChIKey: QOEJDHLJOKRPJG-UHFFFAOYSA-O
Molecular formula: C14H15N2O+
Average molar mass: 227.28 g/mol
Monoisotopic mass: 227.11843811

Overview

exhibits antiviral activity against influenza viruses in vitro

Names & identifiers

Preferred name: Enisamium
IUPAC: N-benzyl-1-methylpyridin-1-ium-4-carboxamide

Names & synonyms

EnisamiumEnisamium ionEnisamium cation4-(Benzylcarbamoyl)-1-methylpyridin-1-ium99SS65Q7OY116533-18-7Pyridinium, 1-methyl-4-(((phenylmethyl)amino)carbonyl)-4-(n-benzyl)aminocarbonyl-1-methylpyridiniumDTXSID60151421RefChem:136856DTXCID4073912UNII-99SS65Q7OY

Show more names

4-Benzylcarbamoyl-1-methyl-pyridiniumMLS001211478SMR000514553enisamium-iodideN-benzyl-1-methylpyridin-1-ium-4-carboxamide;iodideN-benzyl-1-methyl-pyridin-1-ium-4-carboxamide;iodideBAS 00538161CHEMBL1740071

Database identifiers

CAS: 116533-18-7
PubChem CID: 2132298
DTXSID: DTXSID60151421
ChEMBL: CHEMBL1740071
UNII: 99SS65Q7OY

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 33 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 1
Complexity: 241

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