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

Systemtic Name: 2-[1-[(4-methylphenyl)methyl]pyridin-1-ium-4-yl]-5-phenyl-1,3,4-oxadiazole bromide Openeye Name: 2-phenyl-5-[1-(p-tolylmethyl)pyridin-1-ium-4-yl]-1,3,4-oxadiazole bromide CAS Name: 2-[1-[(4-methylphenyl)methyl]-4-pyridin-1-iumyl]-5-phenyl-1,3,4-oxadiazole bromide IUPAC Name: 2-[1-[(4-methylphenyl)methyl]pyridin-1-ium-4-yl]-5-phenyl-1,3,4-oxadiazole bromide Traditional Name: 2-[1-(4-methylbenzyl)pyridin-1-ium-4-yl]-5-phenyl-1,3,4-oxadiazole bromide Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H18N3O.BrH/c1-16-7-9-17(10-8-16)15-24-13-11-19(12-14-24)21-23-22-20(25-21)18-5-3-2-4-6-18;/h2-14H,15H2,1H3;1H/q+1;/p-1