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

Systemtic Name: 4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C20H19N6O3S+ MolecularWeight: 423.46826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C20H18N6O3S/c27-19-14-5-2-1-4-13(14)17(22-23-19)20(28)26-9-7-25(8-10-26)12-16-21-18(24-29-16)15-6-3-11-30-15/h1-6,11H,7-10,12H2,(H,23,27)/p+1