3-(4-methylphenyl)-5-[(1S)-1-piperazin-4-ium-1-ylethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[(1S)-1-piperazin-4-ium-1-ylethyl]-1,2,4-oxadiazole Openeye Name: 5-[(1S)-1-piperazin-4-ium-1-ylethyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[(1S)-1-(1-piperazin-4-iumyl)ethyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[(1S)-1-piperazin-4-ium-1-ylethyl]-1,2,4-oxadiazole Traditional Name: 5-[(1S)-1-piperazin-4-ium-1-ylethyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C15H21N4O+ MolecularWeight: 273.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C(C)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)[C@H](C)N3CC[NH2+]CC3

InChI

InChI=1S/C15H20N4O/c1-11-3-5-13(6-4-11)14-17-15(20-18-14)12(2)19-9-7-16-8-10-19/h3-6,12,16H,7-10H2,1-2H3/p+1/t12-/m0/s1