(3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one Formula: C24H25N6O2+ MolecularWeight: 429.4943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O2/c1-16-21(17(2)30(27-16)19-11-7-4-8-12-19)22-24(31)25-13-14-29(22)15-20-26-23(28-32-20)18-9-5-3-6-10-18/h3-12,22H,13-15H2,1-2H3,(H,25,31)/p+1/t22-/m1/s1