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

Systemtic Name: 4-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzenecarbonitrile bromide Openeye Name: 4-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzonitrile bromide CAS Name: 4-[[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]methyl]benzonitrile bromide IUPAC Name: 4-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzonitrile bromide Traditional Name: 4-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzonitrile bromide Formula: C23H18BrN3O2 MolecularWeight: 448.31192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)C#N.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)C#N.[Br-]

InChI

InChI=1S/C23H18N3O2.BrH/c1-27-21-8-6-19(7-9-21)22-15-25-23(28-22)20-10-12-26(13-11-20)16-18-4-2-17(14-24)3-5-18;/h2-13,15H,16H2,1H3;1H/q+1;/p-1