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

Systemtic Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(5-methyl-3-phenyl-isoxazol-4-yl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(5-methyl-3-phenyl-4-isoxazolyl)-5-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(5-methyl-3-phenyl-isoxazol-4-yl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+]4CCC(CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+]4CCC(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2/c1-19-24(25(29-32-19)22-10-6-3-7-11-22)26-28-27-23(31-26)18-30-16-14-21(15-17-30)13-12-20-8-4-2-5-9-20/h2-11,21H,12-18H2,1H3/p+1