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Trimethyl-[[4-(3,3,3-triphenylpropoxy)phenyl]methyl]azanium

HCID 54396347
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

1 records
New reaction record
HRID 695929 reaction equation
HRID 695929As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes