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

Systemtic Name: 3-[(2-phenylquinazolin-3-ium-4-yl)amino]benzoic acid Openeye Name: 3-[(2-phenylquinazolin-3-ium-4-yl)amino]benzoic acid CAS Name: 3-[(2-phenyl-4-quinazolin-3-iumyl)amino]benzoic acid IUPAC Name: 3-[(2-phenylquinazolin-3-ium-4-yl)amino]benzoic acid Traditional Name: 3-[(2-phenylquinazolin-3-ium-4-yl)amino]benzoic acid Formula: C21H16N3O2+ MolecularWeight: 342.37064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=[NH+]2)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=[NH+]2)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H15N3O2/c25-21(26)15-9-6-10-16(13-15)22-20-17-11-4-5-12-18(17)23-19(24-20)14-7-2-1-3-8-14/h1-13H,(H,25,26)(H,22,23,24)/p+1