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

Systemtic Name: 5-chloranyl-4-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-2-methoxy-benzoate Openeye Name: 5-chloro-4-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]-2-methoxybenzoate IUPAC Name: 5-chloro-4-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-2-methoxybenzoate Traditional Name: 5-chloro-4-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-2-methoxy-benzoate Formula: C19H19ClN4O3 MolecularWeight: 386.83216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3/c1-24(2)10-17-21-14-7-5-4-6-11(14)18(23-17)22-15-9-16(27-3)12(19(25)26)8-13(15)20/h4-9H,10H2,1-3H3,(H,25,26)(H,21,22,23)