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

Systemtic Name: 1-[(2-nitrophenyl)methyl]pyridin-1-ium bromide Openeye Name: 1-[(2-nitrophenyl)methyl]pyridin-1-ium bromide CAS Name: 1-[(2-nitrophenyl)methyl]pyridin-1-ium bromide IUPAC Name: 1-[(2-nitrophenyl)methyl]pyridin-1-ium bromide Traditional Name: 1-(2-nitrobenzyl)pyridin-1-ium bromide Formula: C12H11BrN2O2 MolecularWeight: 295.13194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=CC=C2[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=CC=C2[N+](=O)[O-].[Br-]

InChI

InChI=1S/C12H11N2O2.BrH/c15-14(16)12-7-3-2-6-11(12)10-13-8-4-1-5-9-13;/h1-9H,10H2;1H/q+1;/p-1