1-(3-nitrophenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(3-nitrophenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 1-(3-nitrophenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N2O3.BrH/c23-20(18-7-4-8-19(14-18)22(24)25)15-21-11-9-17(10-12-21)13-16-5-2-1-3-6-16;/h1-12,14H,13,15H2;1H/q+1;/p-1