CAS
165669-16-9 Purity
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165669-16-9 Purity
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1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide
CAS
165678-32-0
Catalog Number
ACM165678320
Category
Other Products
Molecular Weight
540.7g/mol
Molecular Formula
C33H50BrN
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Specification
IUPAC Name
1-octadecyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridin-1-ium;bromide
Canonical SMILES
CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC=CC2=CC=CC=C2.[Br-]
InChI
InChI=1S/C33H50N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-34-30-27-33(28-31-34)26-21-20-25-32-23-18-17-19-24-32;/h17-21,23-28,30-31H,2-16,22,29H2,1H3;1H/q+1;/p-1/b25-20+,26-21+;
InChI Key
GERCFVKULBVBIO-MNKMQPBCSA-M
Complexity
479
Covalently-Bonded Unit Count
2
Exact Mass
539.31266g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
35
Monoisotopic Mass
539.31266g/mol
Rotatable Bond Count
20
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