2-(4-oxidanylidene-6-piperazin-4-ium-1-yl-quinazolin-3-yl)ethanoate

Systemtic Name: 2-(4-oxidanylidene-6-piperazin-4-ium-1-yl-quinazolin-3-yl)ethanoate Openeye Name: 2-(4-oxo-6-piperazin-4-ium-1-yl-quinazolin-3-yl)acetate CAS Name: 2-[4-oxo-6-(1-piperazin-4-iumyl)-3-quinazolinyl]acetate IUPAC Name: 2-(4-oxo-6-piperazin-4-ium-1-ylquinazolin-3-yl)acetate Traditional Name: 2-(4-keto-6-piperazin-4-ium-1-yl-quinazolin-3-yl)acetate Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)[O-]

InChI

InChI=1S/C14H16N4O3/c19-13(20)8-18-9-16-12-2-1-10(7-11(12)14(18)21)17-5-3-15-4-6-17/h1-2,7,9,15H,3-6,8H2,(H,19,20)