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

Systemtic Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(5-methyl-3-phenyl-isoxazol-4-yl)-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(5-methyl-3-phenyl-4-isoxazolyl)-5-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(5-methyl-3-phenyl-isoxazol-4-yl)-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole Formula: C18H23N5O2+2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2/c1-13-16(17(21-25-13)14-6-4-3-5-7-14)18-20-19-15(24-18)12-23-10-8-22(2)9-11-23/h3-7H,8-12H2,1-2H3/p+2