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

Systemtic Name: 4-chloranyl-3-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]benzoate Openeye Name: 4-chloro-3-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]benzoate CAS Name: 4-chloro-3-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]benzoate IUPAC Name: 4-chloro-3-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]benzoate Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2/c1-23(2)10-16-20-14-6-4-3-5-12(14)17(22-16)21-15-9-11(18(24)25)7-8-13(15)19/h3-9H,10H2,1-2H3,(H,24,25)(H,20,21,22)