1-[(4-nitrophenyl)methyl]-3-quinolin-2-yl-quinolin-1-ium bromide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-3-quinolin-2-yl-quinolin-1-ium bromide Openeye Name: 1-[(4-nitrophenyl)methyl]-3-(2-quinolyl)quinolin-1-ium bromide CAS Name: 1-[(4-nitrophenyl)methyl]-3-(2-quinolinyl)quinolin-1-ium bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]-3-quinolin-2-ylquinolin-1-ium bromide Traditional Name: 1-(4-nitrobenzyl)-3-(2-quinolyl)quinolin-1-ium bromide Formula: C25H18BrN3O2 MolecularWeight: 472.33332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=CC4=CC=CC=C4[N+](=C3)CC5=CC=C(C=C5)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=CC4=CC=CC=C4[N+](=C3)CC5=CC=C(C=C5)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C25H18N3O2.BrH/c29-28(30)22-12-9-18(10-13-22)16-27-17-21(15-20-6-2-4-8-25(20)27)24-14-11-19-5-1-3-7-23(19)26-24;/h1-15,17H,16H2;1H/q+1;/p-1