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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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