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

Systemtic Name: 5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-[(1-methyl-2-imidazolyl)methyl]-1-piperazin-4-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C16H21N6OS+ MolecularWeight: 345.44254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C16H20N6OS/c1-20-5-4-17-14(20)11-21-6-8-22(9-7-21)12-15-18-16(19-23-15)13-3-2-10-24-13/h2-5,10H,6-9,11-12H2,1H3/p+1