[phenyl-(4-phenylpyridin-1-ium-1-yl)methyl] benzoate chloride

Systemtic Name: [phenyl-(4-phenylpyridin-1-ium-1-yl)methyl] benzoate chloride Openeye Name: [phenyl-(4-phenylpyridin-1-ium-1-yl)methyl] benzoate chloride CAS Name: benzoic acid [phenyl-(4-phenyl-1-pyridin-1-iumyl)methyl] ester chloride IUPAC Name: [phenyl-(4-phenylpyridin-1-ium-1-yl)methyl] benzoate chloride Traditional Name: benzoic acid [phenyl-(4-phenylpyridin-1-ium-1-yl)methyl] ester chloride Formula: C25H20ClNO2 MolecularWeight: 401.8848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H20NO2.ClH/c27-25(23-14-8-3-9-15-23)28-24(22-12-6-2-7-13-22)26-18-16-21(17-19-26)20-10-4-1-5-11-20;/h1-19,24H;1H/q+1;/p-1