1-[(4-nitrophenyl)methyl]-1,10-phenanthrolin-1-ium bromide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-1,10-phenanthrolin-1-ium bromide Openeye Name: 1-[(4-nitrophenyl)methyl]-1,10-phenanthrolin-1-ium bromide CAS Name: 1-[(4-nitrophenyl)methyl]-1,10-phenanthrolin-1-ium bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]-1,10-phenanthrolin-1-ium bromide Traditional Name: 1-(4-nitrobenzyl)-1,10-phenanthrolin-1-ium bromide Formula: C19H14BrN3O2 MolecularWeight: 396.23736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=[N+]3CC4=CC=C(C=C4)[N+](=O)[O-])C=C2)N=C1.[Br-]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=[N+]3CC4=CC=C(C=C4)[N+](=O)[O-])C=C2)N=C1.[Br-]

InChI

InChI=1S/C19H14N3O2.BrH/c23-22(24)17-9-5-14(6-10-17)13-21-12-2-4-16-8-7-15-3-1-11-20-18(15)19(16)21;/h1-12H,13H2;1H/q+1;/p-1