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Compound
Trimethyl-[[4-(3,3,3-triphenylpropoxy)phenyl]methyl]azanium
HCID
54396347
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Basic information
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Basic information
Standard SMILES
C[N+](C)(C)Cc1ccc(OCCC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
VKFVVHHDDFAACM-UHFFFAOYSA-N
Molecular formula
C31H34NO+
Average molar mass
436.6 g/mol
Names & identifiers
Preferred name
Trimethyl-[[4-(3,3,3-triphenylpropoxy)phenyl]methyl]azanium
IUPAC
trimethyl-[[4-(3,3,3-triphenylpropoxy)phenyl]methyl]azanium
Database identifiers
PubChem CID
54396347
Properties
Computed structural properties
XLogP
7.2
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
9
Heavy atoms
33
Formal charge
1
Complexity
494
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Related reactions
1 records
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HRID
695929
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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