2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: 2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: 2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]-(2-oxido-2-oxo-ethyl)amino]acetate CAS Name: 2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]-(2-oxido-2-oxoethyl)amino]acetate IUPAC Name: 2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]-(2-oxido-2-oxoethyl)amino]acetate Traditional Name: 2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]-(2-keto-2-oxido-ethyl)amino]acetate Formula: C15H17N4O4- MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)N(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)N(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C15H18N4O4/c1-18(2)7-12-16-11-6-4-3-5-10(11)15(17-12)19(8-13(20)21)9-14(22)23/h3-6H,7-9H2,1-2H3,(H,20,21)(H,22,23)/p-1