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

Systemtic Name: 1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium bromide Openeye Name: 1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium bromide CAS Name: 1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium bromide IUPAC Name: 1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium bromide Traditional Name: 4-[(1E)-1-phenylbuta-1,3-dienyl]-1-stearyl-pyridin-1-ium bromide Formula: C33H50BrN MolecularWeight: 540.6608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=CC=C)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)/C(=C/C=C)/C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C33H50N.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-34-29-26-32(27-30-34)33(23-4-2)31-24-20-19-21-25-31;/h4,19-21,23-27,29-30H,2-3,5-18,22,28H2,1H3;1H/q+1;/p-1/b33-23+;