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

Systemtic Name: 4-[6-(4-carboxyphenyl)-4-phenyl-1-(phenylmethyl)pyridin-1-ium-2-yl]benzoic acid perchlorate Openeye Name: 4-[1-benzyl-6-(4-carboxyphenyl)-4-phenyl-pyridin-1-ium-2-yl]benzoic acid perchlorate CAS Name: 4-[6-(4-carboxyphenyl)-4-phenyl-1-(phenylmethyl)-2-pyridin-1-iumyl]benzoic acid perchlorate IUPAC Name: 4-[1-benzyl-6-(4-carboxyphenyl)-4-phenylpyridin-1-ium-2-yl]benzoic acid perchlorate Traditional Name: 4-[1-benzyl-6-(4-carboxyphenyl)-4-phenyl-pyridin-1-ium-2-yl]benzoic acid perchlorate Formula: C32H24ClNO8 MolecularWeight: 585.98786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C32H23NO4.ClHO4/c34-31(35)26-15-11-24(12-16-26)29-19-28(23-9-5-2-6-10-23)20-30(25-13-17-27(18-14-25)32(36)37)33(29)21-22-7-3-1-4-8-22;2-1(3,4)5/h1-20H,21H2,(H-,34,35,36,37);(H,2,3,4,5)