2-(piperazine-1,4-diium-1-ylmethyl)-1H-quinazolin-4-one

Systemtic Name: 2-(piperazine-1,4-diium-1-ylmethyl)-1H-quinazolin-4-one Openeye Name: 2-(piperazine-1,4-diium-1-ylmethyl)-1H-quinazolin-4-one CAS Name: 2-(1-piperazine-1,4-diiumylmethyl)-1H-quinazolin-4-one IUPAC Name: 2-(piperazine-1,4-diium-1-ylmethyl)-1H-quinazolin-4-one Traditional Name: 2-(piperazine-1,4-diium-1-ylmethyl)-1H-quinazolin-4-one Formula: C13H18N4O+2 MolecularWeight: 246.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H16N4O/c18-13-10-3-1-2-4-11(10)15-12(16-13)9-17-7-5-14-6-8-17/h1-4,14H,5-9H2,(H,15,16,18)/p+2