5-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 5-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-2-hydroxy-benzoate CAS Name: 5-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-2-hydroxybenzoate Traditional Name: 5-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-2-hydroxy-benzoate Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C18H18N4O3/c1-22(2)10-16-20-14-6-4-3-5-12(14)17(21-16)19-11-7-8-15(23)13(9-11)18(24)25/h3-9,23H,10H2,1-2H3,(H,24,25)(H,19,20,21)