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

Systemtic Name: 3-[[2-(4-tert-butylphenyl)quinazolin-3-ium-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(4-tert-butylphenyl)quinazolin-3-ium-4-yl]amino]benzoic acid CAS Name: 3-[[2-(4-tert-butylphenyl)-4-quinazolin-3-iumyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-tert-butylphenyl)quinazolin-3-ium-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(4-tert-butylphenyl)quinazolin-3-ium-4-yl]amino]benzoic acid Formula: C25H24N3O2+ MolecularWeight: 398.47696

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2/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)/p+1