1-[(4-nitrophenyl)methyl]-4-pyridin-4-yl-pyridin-1-ium bromide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-4-yl-pyridin-1-ium bromide Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(4-pyridyl)pyridin-1-ium bromide CAS Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-4-ylpyridin-1-ium bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-4-ylpyridin-1-ium bromide Traditional Name: 1-(4-nitrobenzyl)-4-(4-pyridyl)pyridin-1-ium bromide Formula: C17H14BrN3O2 MolecularWeight: 372.21596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H14N3O2.BrH/c21-20(22)17-3-1-14(2-4-17)13-19-11-7-16(8-12-19)15-5-9-18-10-6-15;/h1-12H,13H2;1H/q+1;/p-1