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

Systemtic Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl ethanoate Openeye Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl acetate CAS Name: acetic acid 2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl acetate Traditional Name: acetic acid 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl ester Formula: C27H24NO2+ MolecularWeight: 394.48496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24NO2/c1-21(29)30-18-17-28-26(23-13-7-3-8-14-23)19-25(22-11-5-2-6-12-22)20-27(28)24-15-9-4-10-16-24/h2-16,19-20H,17-18H2,1H3/q+1