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

Systemtic Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(5-methyl-3-phenyl-isoxazol-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(5-methyl-3-phenyl-4-isoxazolyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(5-methyl-3-phenyl-isoxazol-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C22H24N6O2+2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H22N6O2/c1-16-20(21(26-30-16)17-7-3-2-4-8-17)22-25-24-19(29-22)15-27-11-13-28(14-12-27)18-9-5-6-10-23-18/h2-10H,11-15H2,1H3/p+2