4-[[4-[(4-carboxyphenyl)amino]-6-pyridin-1-ium-1-yl-1,3,5-triazin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-[(4-carboxyphenyl)amino]-6-pyridin-1-ium-1-yl-1,3,5-triazin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(4-carboxyanilino)-6-pyridin-1-ium-1-yl-1,3,5-triazin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(4-carboxyanilino)-6-(1-pyridin-1-iumyl)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 4-[[4-(4-carboxyanilino)-6-pyridin-1-ium-1-yl-1,3,5-triazin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(4-carboxyanilino)-6-pyridin-1-ium-1-yl-s-triazin-2-yl]amino]benzoic acid Formula: C22H17N6O4+ MolecularWeight: 429.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=[N+](C=C1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N6O4/c29-18(30)14-4-8-16(9-5-14)23-20-25-21(24-17-10-6-15(7-11-17)19(31)32)27-22(26-20)28-12-2-1-3-13-28/h1-13H,(H3-,23,24,25,26,27,29,30,31,32)/p+1