Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-), Dibromide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 11
Total Number of Articles : 41
PubChem 1338
Molecular Formula

C27H38N2O+2

SMILES

C[N+](C)(CC=C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)CC=C

InChI

InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2

synonyms
  • BW284c51
  • CHEMBL140020
  • 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM
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Properties
Property Value
MW 406.6 g/mol
HBD 0
HBA 1
Rotatable Bond Count 12
Exact Mass 406.298413840 g/mol
Monoisotopic Mass 406.298413840 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 501
xlogp 4.8
Topological Polar Surface Area 17.1