CAS 165678-32-0 1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide

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Charge Transfer Complexes

1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide

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Catalog Number

ACM165678320

Product Name

1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide

Structure

CAS

165678-32-0

Category

Charge Transfer Complexes

IUPAC Name

1-octadecyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridin-1-ium;bromide

Molecular Weight

540.7g/mol

Molecular Formula

C33H50BrN

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

Purity

>96.0%(T)

Complexity

479

Covalently-Bonded Unit Count

Exact Mass

539.31266g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass