2-[5-(1,1'-Biphenyl-4-yl)-pentyl]-isoquinolinium bromide

HCID 68592474
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Basic information

Standard SMILES
[Br-].c1ccc(-c2ccc(CCCCC[n+]3ccc4ccccc4c3)cc2)cc1
InChIKey
IOVSFOGKWZVALR-UHFFFAOYSA-M
Molecular formula
C26H26BrN
Average molar mass
432.4 g/mol

Names & identifiers

Preferred name
2-[5-(1,1'-Biphenyl-4-yl)-pentyl]-isoquinolinium bromide
IUPAC
2-[5-(4-phenylphenyl)pentyl]isoquinolin-2-ium bromide

Names & synonyms

SCHEMBL3314012IOVSFOGKWZVALR-UHFFFAOYSA-M2-[5-(1,1'-biphenyl-4-yl)-pentyl]-isoquinolinium bromide

Database identifiers

PubChem CID
68592474

Properties

Computed structural properties

Topological polar surface area
3.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
28

Related reactions

1 records
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Linked notes

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