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

Systemtic Name: [(S)-phenyl-(4-phenylpyridin-1-ium-1-yl)methyl] benzoate Openeye Name: [(S)-phenyl-(4-phenylpyridin-1-ium-1-yl)methyl] benzoate CAS Name: benzoic acid [(S)-phenyl-(4-phenyl-1-pyridin-1-iumyl)methyl] ester IUPAC Name: [(S)-phenyl-(4-phenylpyridin-1-ium-1-yl)methyl] benzoate Traditional Name: benzoic acid [(S)-phenyl-(4-phenylpyridin-1-ium-1-yl)methyl] ester Formula: C25H20NO2+ MolecularWeight: 366.4318

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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

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)[C@H](C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20NO2/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/q+1/t24-/m0/s1