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116946-58-8 | Pyridinium, 4-[4-[4-(diethylamino)phenyl]-1,3-butadienyl]-1-[3-(triethylammonio)propyl]-, (E,E)- (9CI)
CAS No: 116946-58-8 Catalog No: AG000DF7 MDL No:
Product Description
Catalog Number:
AG000DF7
Chemical Name:
Pyridinium, 4-[4-[4-(diethylamino)phenyl]-1,3-butadienyl]-1-[3-(triethylammonio)propyl]-, (E,E)- (9CI)
CAS Number:
116946-58-8
Molecular Formula:
C28H43N3++
Molecular Weight:
421.6611
IUPAC Name:
3-[4-[4-[4-(diethylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]propyl-triethylazanium
InChI:
InChI=1S/C28H43N3/c1-6-30(7-2)28-18-16-26(17-19-28)14-11-12-15-27-20-23-29(24-21-27)22-13-25-31(8-3,9-4)10-5/h11-12,14-21,23-24H,6-10,13,22,25H2,1-5H3/q+2
InChI Key:
ZPXFHEQVWBVXDM-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)/C=C/C=C/c1cc[n+](cc1)CCC[N+](CC)(CC)CC)CC
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.346g/mol
Formal Charge:
2
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.673g/mol
Monoisotopic Mass:
421.346g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.2
Literature
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|---|---|
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| Electrotonically mediated oscillatory patterns in neuronal ensembles: an in vitro voltage-dependent dye-imaging study in the inferior olive. | The Journal of neuroscience : the official journal of the Society for Neuroscience 20020401 |
| Functional independence of layer IV barrels. | Journal of neurophysiology 20020201 |
| Interactions between multiple rhythm generators produce complex patterns of oscillation in the developing rat spinal cord. | Journal of neurophysiology 20020201 |
| Evidence for the role of alveolar epithelial gp60 in active transalveolar albumin transport in the rat lung. | The Journal of physiology 20010601 |
| Symmetry, stereotypy, and topography of odorant representations in mouse olfactory bulbs. | The Journal of neuroscience : the official journal of the Society for Neuroscience 20010315 |
| Reversible vacuolation of T-tubules in skeletal muscle: mechanisms and implications for cell biology. | International review of cytology 20010101 |
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