3-[[2-(4-tert-butylphenyl)quinazolin-3-ium-4-yl]amino]benzoic acid chloride

Systemtic Name: 3-[[2-(4-tert-butylphenyl)quinazolin-3-ium-4-yl]amino]benzoic acid chloride Openeye Name: 3-[[2-(4-tert-butylphenyl)quinazolin-3-ium-4-yl]amino]benzoic acid chloride CAS Name: 3-[[2-(4-tert-butylphenyl)-4-quinazolin-3-iumyl]amino]benzoic acid chloride IUPAC Name: 3-[[2-(4-tert-butylphenyl)quinazolin-3-ium-4-yl]amino]benzoic acid chloride Traditional Name: 3-[[2-(4-tert-butylphenyl)quinazolin-3-ium-4-yl]amino]benzoic acid chloride Formula: C25H24ClN3O2 MolecularWeight: 433.92996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2.ClH/c1-25(2,3)18-13-11-16(12-14-18)22-27-21-10-5-4-9-20(21)23(28-22)26-19-8-6-7-17(15-19)24(29)30;/h4-15H,1-3H3,(H,29,30)(H,26,27,28);1H