2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(4-methylpiperazin-4-ium-1-yl)-1H-quinazoline-7-carboxylate Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H16N4O3/c1-17-4-6-18(7-5-17)14-15-11-8-9(13(20)21)2-3-10(11)12(19)16-14/h2-3,8H,4-7H2,1H3,(H,20,21)(H,15,16,19)