2-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H23N6O2+ MolecularWeight: 403.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N6O2/c29-22-17-8-4-5-9-18(17)23-19(24-22)14-27-10-12-28(13-11-27)15-20-25-21(26-30-20)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,24,29)/p+1