1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]ethanone IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C20H23N4O3S2+ MolecularWeight: 431.55162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CSC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CSC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C20H22N4O3S2/c25-18(15-29-20-22-21-19(27-20)17-7-4-14-28-17)24-10-8-23(9-11-24)12-13-26-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2/p+1