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

Systemtic Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(5-methyl-3-phenyl-isoxazol-4-yl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(5-methyl-3-phenyl-4-isoxazolyl)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(5-methyl-3-phenyl-isoxazol-4-yl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C23H24N5O2+ MolecularWeight: 402.46896

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2/c1-17-21(22(26-30-17)18-8-4-2-5-9-18)23-25-24-20(29-23)16-27-12-14-28(15-13-27)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3/p+1