1-(4-nitrophenyl)-2-[4-(5-phenyl-1,3-oxazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-[4-(5-phenyl-1,3-oxazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-[4-(5-phenyloxazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-[4-(5-phenyl-2-oxazolyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-[4-(5-phenyl-1,3-oxazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-[4-(5-phenyloxazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide Formula: C22H16BrN3O4 MolecularWeight: 466.28414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H16N3O4.BrH/c26-20(16-6-8-19(9-7-16)25(27)28)15-24-12-10-18(11-13-24)22-23-14-21(29-22)17-4-2-1-3-5-17;/h1-14H,15H2;1H/q+1;/p-1