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

Systemtic Name: 5-chloranyl-4-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]-2-methoxy-benzoate Openeye Name: 5-chloro-4-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[[2-[2-(dimethylammonio)ethyl]-4-quinazolinyl]amino]-2-methoxybenzoate IUPAC Name: 5-chloro-4-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]-2-methoxybenzoate Traditional Name: 5-chloro-4-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]-2-methoxy-benzoate Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3/c1-25(2)9-8-18-22-15-7-5-4-6-12(15)19(24-18)23-16-11-17(28-3)13(20(26)27)10-14(16)21/h4-7,10-11H,8-9H2,1-3H3,(H,26,27)(H,22,23,24)