ethyl 3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate

Systemtic Name: ethyl 3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate Openeye Name: ethyl 3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate CAS Name: 3-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate Traditional Name: 3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid ethyl ester Formula: C32H26NO2+ MolecularWeight: 456.55434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H26NO2/c1-2-35-32(34)27-19-12-20-29(21-27)33-30(25-15-8-4-9-16-25)22-28(24-13-6-3-7-14-24)23-31(33)26-17-10-5-11-18-26/h3-23H,2H2,1H3/q+1