4-[1-butyl-6-(4-carboxyphenyl)-4-phenyl-pyridin-1-ium-2-yl]benzoic acid

Systemtic Name: 4-[1-butyl-6-(4-carboxyphenyl)-4-phenyl-pyridin-1-ium-2-yl]benzoic acid Openeye Name: 4-[1-butyl-6-(4-carboxyphenyl)-4-phenyl-pyridin-1-ium-2-yl]benzoic acid CAS Name: 4-[1-butyl-6-(4-carboxyphenyl)-4-phenyl-2-pyridin-1-iumyl]benzoic acid IUPAC Name: 4-[1-butyl-6-(4-carboxyphenyl)-4-phenylpyridin-1-ium-2-yl]benzoic acid Traditional Name: 4-[1-butyl-6-(4-carboxyphenyl)-4-phenyl-pyridin-1-ium-2-yl]benzoic acid Formula: C29H26NO4+ MolecularWeight: 452.52104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H25NO4/c1-2-3-17-30-26(21-9-13-23(14-10-21)28(31)32)18-25(20-7-5-4-6-8-20)19-27(30)22-11-15-24(16-12-22)29(33)34/h4-16,18-19H,2-3,17H2,1H3,(H-,31,32,33,34)/p+1