2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 2-[(3-oxopiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[(3-oxo-1-piperazin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(3-oxopiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(3-ketopiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C13H15N4O2+ MolecularWeight: 259.2838

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H14N4O2/c18-12-8-17(6-5-14-12)7-11-15-10-4-2-1-3-9(10)13(19)16-11/h1-4H,5-8H2,(H,14,18)(H,15,16,19)/p+1