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

Systemtic Name: 1,4-bis[(4-nitrophenyl)methyl]pyridin-1-ium bromide Openeye Name: 1,4-bis[(4-nitrophenyl)methyl]pyridin-1-ium bromide CAS Name: 1,4-bis[(4-nitrophenyl)methyl]pyridin-1-ium bromide IUPAC Name: 1,4-bis[(4-nitrophenyl)methyl]pyridin-1-ium bromide Traditional Name: 1,4-bis(4-nitrobenzyl)pyridin-1-ium bromide Formula: C19H16BrN3O4 MolecularWeight: 430.25204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H16N3O4.BrH/c23-21(24)18-5-1-15(2-6-18)13-16-9-11-20(12-10-16)14-17-3-7-19(8-4-17)22(25)26;/h1-12H,13-14H2;1H/q+1;/p-1