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

Systemtic Name: 4-[[4-(5-phenyl-1,3-oxazol-2-yl)pyridin-1-ium-1-yl]methyl]benzenecarbonitrile bromide Openeye Name: 4-[[4-(5-phenyloxazol-2-yl)pyridin-1-ium-1-yl]methyl]benzonitrile bromide CAS Name: 4-[[4-(5-phenyl-2-oxazolyl)-1-pyridin-1-iumyl]methyl]benzonitrile bromide IUPAC Name: 4-[[4-(5-phenyl-1,3-oxazol-2-yl)pyridin-1-ium-1-yl]methyl]benzonitrile bromide Traditional Name: 4-[[4-(5-phenyloxazol-2-yl)pyridin-1-ium-1-yl]methyl]benzonitrile bromide Formula: C22H16BrN3O MolecularWeight: 418.28594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)C#N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)C#N.[Br-]

InChI

InChI=1S/C22H16N3O.BrH/c23-14-17-6-8-18(9-7-17)16-25-12-10-20(11-13-25)22-24-15-21(26-22)19-4-2-1-3-5-19;/h1-13,15H,16H2;1H/q+1;/p-1