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

Systemtic Name: 3-[(2-phenylquinazolin-3-ium-4-yl)amino]benzoic acid chloride Openeye Name: 3-[(2-phenylquinazolin-3-ium-4-yl)amino]benzoic acid chloride CAS Name: 3-[(2-phenyl-4-quinazolin-3-iumyl)amino]benzoic acid chloride IUPAC Name: 3-[(2-phenylquinazolin-3-ium-4-yl)amino]benzoic acid chloride Traditional Name: 3-[(2-phenylquinazolin-3-ium-4-yl)amino]benzoic acid chloride Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O2.ClH/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);1H