5-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one

Systemtic Name: 5-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 5-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one CAS Name: 5-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 5-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]-2-pyridone Formula: C17H18N5O3S+ MolecularWeight: 372.42152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S/c23-14-4-3-12(10-18-14)17(24)22-7-5-21(6-8-22)11-15-19-16(20-25-15)13-2-1-9-26-13/h1-4,9-10H,5-8,11H2,(H,18,23)/p+1