2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethanoate

Systemtic Name: 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethanoate Openeye Name: 2-[(2-oxido-2-oxo-ethyl)-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetate CAS Name: 2-[(2-oxido-2-oxoethyl)-[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]acetate IUPAC Name: 2-[(2-oxido-2-oxoethyl)-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetate Traditional Name: 2-[(2-keto-2-oxido-ethyl)-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetate Formula: C17H19N4O4- MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C17H20N4O4/c22-15(23)10-21(11-16(24)25)17-12-5-1-2-6-13(12)18-14(19-17)9-20-7-3-4-8-20/h1-2,5-6H,3-4,7-11H2,(H,22,23)(H,24,25)/p-1