2-(4-methoxyphenyl)-5-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-methoxyphenyl)-5-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Openeye Name: 2-(4-methoxyphenyl)-5-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole CAS Name: 2-(4-methoxyphenyl)-5-[(1S)-1-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-methoxyphenyl)-5-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Traditional Name: 2-(4-methoxyphenyl)-5-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Formula: C20H25N5O2+2 MolecularWeight: 367.4448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@@H](C1=NN=C(O1)C2=CC=C(C=C2)OC)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5O2/c1-15(24-11-13-25(14-12-24)18-5-3-4-10-21-18)19-22-23-20(27-19)16-6-8-17(26-2)9-7-16/h3-10,15H,11-14H2,1-2H3/p+2/t15-/m0/s1