3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C20H21FN5O2+ MolecularWeight: 382.411443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN5O2/c21-16-3-1-15(2-4-16)20-23-18(28-24-20)5-6-19(27)26-13-11-25(12-14-26)17-7-9-22-10-8-17/h1-4,7-10H,5-6,11-14H2/p+1