[2-[4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-yl]phenyl] benzoate perchlorate

Systemtic Name: [2-[4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-yl]phenyl] benzoate perchlorate Openeye Name: [2-(1-benzyl-4,6-diphenyl-pyridin-1-ium-2-yl)phenyl] benzoate perchlorate CAS Name: benzoic acid [2-[4,6-diphenyl-1-(phenylmethyl)-2-pyridin-1-iumyl]phenyl] ester perchlorate IUPAC Name: [2-(1-benzyl-4,6-diphenylpyridin-1-ium-2-yl)phenyl] benzoate perchlorate Traditional Name: benzoic acid [2-(1-benzyl-4,6-diphenyl-pyridin-1-ium-2-yl)phenyl] ester perchlorate Formula: C37H28ClNO6 MolecularWeight: 618.07432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=CC=CC=C3OC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=CC=CC=C3OC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C37H28NO2.ClHO4/c39-37(31-21-11-4-12-22-31)40-36-24-14-13-23-33(36)35-26-32(29-17-7-2-8-18-29)25-34(30-19-9-3-10-20-30)38(35)27-28-15-5-1-6-16-28;2-1(3,4)5/h1-26H,27H2;(H,2,3,4,5)/q+1;/p-1