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21074-52-2 | Pyridinium, 4-(2-phenylethenyl)-1-[3-(trimethylammonio)propyl]-, bromide (1:2)
CAS No: 21074-52-2 Catalog No: AG002KY4 MDL No:
Product Description
Catalog Number:
AG002KY4
Chemical Name:
Pyridinium, 4-(2-phenylethenyl)-1-[3-(trimethylammonio)propyl]-, bromide (1:2)
CAS Number:
21074-52-2
Molecular Formula:
C19H26Br2N2
Molecular Weight:
442.2311
IUPAC Name:
trimethyl-[3-[4-(2-phenylethenyl)pyridin-1-ium-1-yl]propyl]azanium;dibromide
InChI:
InChI=1S/C19H26N2.2BrH/c1-21(2,3)17-7-14-20-15-12-19(13-16-20)11-10-18-8-5-4-6-9-18;;/h4-6,8-13,15-16H,7,14,17H2,1-3H3;2*1H/q+2;;/p-2
InChI Key:
PPNGBUNXPYHPHB-UHFFFAOYSA-L
SMILES:
C[N+](CCC[n+]1ccc(cc1)C=Cc1ccccc1)(C)C.[Br-].[Br-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.044g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.239g/mol
Monoisotopic Mass:
440.046g/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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