3-phenyl-5-(piperazin-4-ium-1-ylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-phenyl-5-(piperazin-4-ium-1-ylmethyl)-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-(piperazin-4-ium-1-ylmethyl)-1,2,4-oxadiazole CAS Name: 3-phenyl-5-(1-piperazin-4-iumylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-(piperazin-4-ium-1-ylmethyl)-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-(piperazin-4-ium-1-ylmethyl)-1,2,4-oxadiazole Formula: C13H17N4O+ MolecularWeight: 245.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C13H16N4O/c1-2-4-11(5-3-1)13-15-12(18-16-13)10-17-8-6-14-7-9-17/h1-5,14H,6-10H2/p+1