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21074-53-3 | Pyridinium, 4-[2-(1-naphthalenyl)ethenyl]-1-[3-(trimethylammonio)propyl]-, bromide (1:2)
CAS No: 21074-53-3 Catalog No: AG002KY3 MDL No:
Product Description
Catalog Number:
AG002KY3
Chemical Name:
Pyridinium, 4-[2-(1-naphthalenyl)ethenyl]-1-[3-(trimethylammonio)propyl]-, bromide (1:2)
CAS Number:
21074-53-3
Molecular Formula:
C23H28Br2N2
Molecular Weight:
492.2898
IUPAC Name:
trimethyl-[3-[4-(2-naphthalen-1-ylethenyl)pyridin-1-ium-1-yl]propyl]azanium;dibromide
InChI:
InChI=1S/C23H28N2.2BrH/c1-25(2,3)19-7-16-24-17-14-20(15-18-24)12-13-22-10-6-9-21-8-4-5-11-23(21)22;;/h4-6,8-15,17-18H,7,16,19H2,1-3H3;2*1H/q+2;;/p-2
InChI Key:
AHHOMAVGRXRBRI-UHFFFAOYSA-L
SMILES:
C[N+](CCC[n+]1ccc(cc1)C=Cc1cccc2c1cccc2)(C)C.[Br-].[Br-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.06g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.299g/mol
Monoisotopic Mass:
490.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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