2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(morpholin-4-ium-4-ylmethyl)-1H-quinazoline-7-carboxylate Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H15N3O4/c18-13-10-2-1-9(14(19)20)7-11(10)15-12(16-13)8-17-3-5-21-6-4-17/h1-2,7H,3-6,8H2,(H,19,20)(H,15,16,18)