4-[(4-nitrophenyl)methyl]-1-(pyridin-2-ylmethyl)pyridin-1-ium bromide

Systemtic Name: 4-[(4-nitrophenyl)methyl]-1-(pyridin-2-ylmethyl)pyridin-1-ium bromide Openeye Name: 4-[(4-nitrophenyl)methyl]-1-(2-pyridylmethyl)pyridin-1-ium bromide CAS Name: 4-[(4-nitrophenyl)methyl]-1-(2-pyridinylmethyl)pyridin-1-ium bromide IUPAC Name: 4-[(4-nitrophenyl)methyl]-1-(pyridin-2-ylmethyl)pyridin-1-ium bromide Traditional Name: 4-(4-nitrobenzyl)-1-(2-pyridylmethyl)pyridin-1-ium bromide Formula: C18H16BrN3O2 MolecularWeight: 386.24254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=NC(=C1)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H16N3O2.BrH/c22-21(23)18-6-4-15(5-7-18)13-16-8-11-20(12-9-16)14-17-3-1-2-10-19-17;/h1-12H,13-14H2;1H/q+1;/p-1