1-(3-sulfonatopropyl)-4-(beta)(2-(di-n-butylamino)-6-naphthylvinyl)pyridinium betaine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 5
PubChem 6438327
Molecular Formula

C28H36N2O3S

SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C=C(C=C2)/C=C/C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C28H36N2O3S/c1-3-5-17-30(18-6-4-2)28-13-12-26-22-25(10-11-27(26)23-28)9-8-24-14-19-29(20-15-24)16-7-21-34(31,32)33/h8-15,19-20,22-23H,3-7,16-18,21H2,1-2H3

synonyms
  • di-4-Anepps
  • 90134-00-2
  • Di-4-aminonaphthenyl-pyridinum-propylsulfonate
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Properties
Property Value
MW 480.7 g/mol
HBD 0
HBA 4
Rotatable Bond Count 12
Exact Mass 480.24466419 g/mol
Monoisotopic Mass 480.24466419 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 676
xlogp 6.2
Topological Polar Surface Area 72.7