(4-nitrophenyl)-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide

Systemtic Name: (4-nitrophenyl)-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide Openeye Name: (4-nitrophenyl)-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide CAS Name: (4-nitrophenyl)-[4-[3-(4-phenyl-1-pyridin-1-iumyl)propoxy]phenyl]methanone bromide IUPAC Name: (4-nitrophenyl)-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide Traditional Name: (4-nitrophenyl)-[4-[3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone bromide Formula: C27H23BrN2O4 MolecularWeight: 519.38652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C27H23N2O4.BrH/c30-27(23-7-11-25(12-8-23)29(31)32)24-9-13-26(14-10-24)33-20-4-17-28-18-15-22(16-19-28)21-5-2-1-3-6-21;/h1-3,5-16,18-19H,4,17,20H2;1H/q+1;/p-1