2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Formula: C26H21BrN2O3 MolecularWeight: 489.36054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N2O3.BrH/c29-26(24-10-8-23(9-11-24)22-4-2-1-3-5-22)19-27-16-14-21(15-17-27)18-20-6-12-25(13-7-20)28(30)31;/h1-17H,18-19H2;1H/q+1;/p-1