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

Systemtic Name: 4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]benzonitrile Formula: C19H18N5O2S+ MolecularWeight: 380.44352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O2S/c20-12-14-3-5-15(6-4-14)19(25)24-9-7-23(8-10-24)13-17-21-18(22-26-17)16-2-1-11-27-16/h1-6,11H,7-10,13H2/p+1