(3-phenylmethoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-phenylmethoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-benzyloxyphenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-phenylmethoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-phenylmethoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-benzoxyphenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C25H25N4O3S+ MolecularWeight: 461.556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S/c30-25(20-8-4-9-21(16-20)31-18-19-6-2-1-3-7-19)29-13-11-28(12-14-29)17-23-26-24(27-32-23)22-10-5-15-33-22/h1-10,15-16H,11-14,17-18H2/p+1