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

Systemtic Name: 4-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]benzoate Openeye Name: 4-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]benzoate CAS Name: 4-[[2-[2-(dimethylammonio)ethyl]-4-quinazolinyl]amino]benzoate IUPAC Name: 4-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]benzoate Traditional Name: 4-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]benzoate Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H20N4O2/c1-23(2)12-11-17-21-16-6-4-3-5-15(16)18(22-17)20-14-9-7-13(8-10-14)19(24)25/h3-10H,11-12H2,1-2H3,(H,24,25)(H,20,21,22)