4-[[2-(2-chlorophenyl)quinazolin-3-ium-4-yl]amino]benzoic acid

Systemtic Name: 4-[[2-(2-chlorophenyl)quinazolin-3-ium-4-yl]amino]benzoic acid Openeye Name: 4-[[2-(2-chlorophenyl)quinazolin-3-ium-4-yl]amino]benzoic acid CAS Name: 4-[[2-(2-chlorophenyl)-4-quinazolin-3-iumyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-chlorophenyl)quinazolin-3-ium-4-yl]amino]benzoic acid Traditional Name: 4-[[2-(2-chlorophenyl)quinazolin-3-ium-4-yl]amino]benzoic acid Formula: C21H15ClN3O2+ MolecularWeight: 376.8157

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=[NH+]C(=N2)C3=CC=CC=C3Cl)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=[NH+]C(=N2)C3=CC=CC=C3Cl)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14ClN3O2/c22-17-7-3-1-5-15(17)19-24-18-8-4-2-6-16(18)20(25-19)23-14-11-9-13(10-12-14)21(26)27/h1-12H,(H,26,27)(H,23,24,25)/p+1