1-Methyl-2-[[[4-(tetradecyloxy)benzoyl]amino]methyl]pyridinium iodide

HCID 10076647

Notes Reactions

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Basic information

Standard SMILES: CCCCCCCCCCCCCCOc1ccc(C(=O)NCc2cccc[n+]2C)cc1.[I-]
InChIKey: CDMLOYMUGPYUJP-UHFFFAOYSA-N
Molecular formula: C28H43IN2O2
Average molar mass: 566.6 g/mol

Names & identifiers

Preferred name: 1-Methyl-2-[[[4-(tetradecyloxy)benzoyl]amino]methyl]pyridinium iodide
IUPAC: N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide

Names & synonyms

CHEMBL154993SCHEMBL9306773CDMLOYMUGPYUJP-UHFFFAOYSA-N1-Methyl-2-[[[4-(tetradecyloxy)benzoyl]amino]methyl]-pyridinium iodide1-Methyl-2-[[[4-(tetradecyloxy)benzoyl]amino]methyl]pyridinium iodide

Database identifiers

PubChem CID: 10076647
ChEMBL: CHEMBL154993

Properties

Computed structural properties

Topological polar surface area: 42.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 17
Heavy atoms: 33
Formal charge: 0
Complexity: 462

Related reactions

2 records

New reaction record

HRID 247921As productuspto-grants-1993_05

HRID 1728797As productuspto-grants-1994_07

Compound notes

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