1-heptyl-4-pyridin-4-yl-pyridin-1-ium bromide

Systemtic Name: 1-heptyl-4-pyridin-4-yl-pyridin-1-ium bromide Openeye Name: 1-heptyl-4-(4-pyridyl)pyridin-1-ium bromide CAS Name: 1-heptyl-4-pyridin-4-ylpyridin-1-ium bromide IUPAC Name: 1-heptyl-4-pyridin-4-ylpyridin-1-ium bromide Traditional Name: 1-heptyl-4-(4-pyridyl)pyridin-1-ium bromide Formula: C17H23BrN2 MolecularWeight: 335.28192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N2.BrH/c1-2-3-4-5-6-13-19-14-9-17(10-15-19)16-7-11-18-12-8-16;/h7-12,14-15H,2-6,13H2,1H3;1H/q+1;/p-1