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Compound
2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(4-tetradecoxybenzoyl)benzamide
HCID
53848014
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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
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Related reactions
1 records
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As product
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As solvent
HRID
2333950
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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