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

Systemtic Name: 5-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C16H20N5O2S+ MolecularWeight: 346.4273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C16H19N5O2S/c1-12-9-13(18-22-12)10-20-4-6-21(7-5-20)11-15-17-16(19-23-15)14-3-2-8-24-14/h2-3,8-9H,4-7,10-11H2,1H3/p+1