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2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(4-tetradecoxybenzoyl)benzamide

HCID 53848014
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(=O)c2ccccc2OC)cc1
InChIKey
GNTHVNQNVRYQLC-UHFFFAOYSA-N
Molecular formula
C36H49N2O4+
Average molar mass
573.8 g/mol

Names & identifiers

Preferred name
2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(4-tetradecoxybenzoyl)benzamide
IUPAC
2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(4-tetradecoxybenzoyl)benzamide

Database identifiers

PubChem CID
53848014

Properties

Computed structural properties

XLogP
10
Topological polar surface area
59.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
19
Heavy atoms
42
Formal charge
1
Complexity
738

Related reactions

1 records
New reaction record
HRID 2333950 reaction equation
HRID 2333950As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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