2-(4-methoxyphenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-methoxyphenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-methoxyphenyl)-1-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-methoxyphenyl)-1-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methoxyphenyl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-methoxyphenyl)-1-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C20H23N4O3S+ MolecularWeight: 399.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C20H22N4O3S/c1-26-17-4-2-15(3-5-17)12-19(25)24-9-7-23(8-10-24)13-18-21-20(22-27-18)16-6-11-28-14-16/h2-6,11,14H,7-10,12-13H2,1H3/p+1