1-pentadecyl-2-pyridin-2-yl-pyridin-1-ium bromide

Systemtic Name: 1-pentadecyl-2-pyridin-2-yl-pyridin-1-ium bromide Openeye Name: 1-pentadecyl-2-(2-pyridyl)pyridin-1-ium bromide CAS Name: 1-pentadecyl-2-(2-pyridinyl)pyridin-1-ium bromide IUPAC Name: 1-pentadecyl-2-pyridin-2-ylpyridin-1-ium bromide Traditional Name: 1-pentadecyl-2-(2-pyridyl)pyridin-1-ium bromide Formula: C25H39BrN2 MolecularWeight: 447.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC[N+]1=CC=CC=C1C2=CC=CC=N2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCC[N+]1=CC=CC=C1C2=CC=CC=N2.[Br-]

InChI

InChI=1S/C25H39N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-27-23-18-15-20-25(27)24-19-14-16-21-26-24;/h14-16,18-21,23H,2-13,17,22H2,1H3;1H/q+1;/p-1