3-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]benzoate

Systemtic Name: 3-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]benzoate Openeye Name: 3-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]benzoate CAS Name: 3-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]benzoate IUPAC Name: 3-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]benzoate Traditional Name: 3-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]benzoate Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2/c1-22(2)11-16-20-15-9-4-3-8-14(15)17(21-16)19-13-7-5-6-12(10-13)18(23)24/h3-10H,11H2,1-2H3,(H,23,24)(H,19,20,21)