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

Systemtic Name: 3-(4-chlorophenyl)-5-[(1S)-1-piperazin-4-ium-1-ylethyl]-1,2,4-oxadiazole Openeye Name: 3-(4-chlorophenyl)-5-[(1S)-1-piperazin-4-ium-1-ylethyl]-1,2,4-oxadiazole CAS Name: 3-(4-chlorophenyl)-5-[(1S)-1-(1-piperazin-4-iumyl)ethyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-chlorophenyl)-5-[(1S)-1-piperazin-4-ium-1-ylethyl]-1,2,4-oxadiazole Traditional Name: 3-(4-chlorophenyl)-5-[(1S)-1-piperazin-4-ium-1-ylethyl]-1,2,4-oxadiazole Formula: C14H18ClN4O+ MolecularWeight: 293.77192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CC[NH2+]CC3

InChI

InChI=1S/C14H17ClN4O/c1-10(19-8-6-16-7-9-19)14-17-13(18-20-14)11-2-4-12(15)5-3-11/h2-5,10,16H,6-9H2,1H3/p+1/t10-/m0/s1