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

Systemtic Name: 1-(4-bromophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone CAS Name: 1-(4-bromophenyl)-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]ethanone Formula: C20H16BrN2O3+ MolecularWeight: 412.25664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN2O3/c21-18-5-3-17(4-6-18)20(24)14-22-11-9-16(10-12-22)13-15-1-7-19(8-2-15)23(25)26/h1-12H,13-14H2/q+1