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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

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