1-(2-nitrophenyl)-2-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanol bromide

Systemtic Name: 1-(2-nitrophenyl)-2-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanol bromide Openeye Name: 1-(2-nitrophenyl)-2-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanol bromide CAS Name: 1-(2-nitrophenyl)-2-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)ethanol bromide IUPAC Name: 1-(2-nitrophenyl)-2-(4-nitrophenyl)-2-pyridin-1-ium-1-ylethanol bromide Traditional Name: 1-(2-nitrophenyl)-2-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanol bromide Formula: C19H16BrN3O5 MolecularWeight: 446.25144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N3O5.BrH/c23-19(16-6-2-3-7-17(16)22(26)27)18(20-12-4-1-5-13-20)14-8-10-15(11-9-14)21(24)25;/h1-13,18-19,23H;1H/q+1;/p-1