2-(4-methylphenyl)-5-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-methylphenyl)-5-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-(p-tolyl)-5-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole CAS Name: 2-(4-methylphenyl)-5-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-methylphenyl)-5-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Traditional Name: 2-(p-tolyl)-5-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)C[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C19H22N4OS/c1-15-4-6-16(7-5-15)19-21-20-18(24-19)14-23-10-8-22(9-11-23)13-17-3-2-12-25-17/h2-7,12H,8-11,13-14H2,1H3/p+1