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

Systemtic Name: ethyl 3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate Openeye Name: ethyl 3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate CAS Name: 3-(2,4,6-triphenyl-1-pyridin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate Traditional Name: 3-(2,4,6-triphenylpyridin-1-ium-1-yl)propionic acid ethyl ester Formula: C28H26NO2+ MolecularWeight: 408.51154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26NO2/c1-2-31-28(30)18-19-29-26(23-14-8-4-9-15-23)20-25(22-12-6-3-7-13-22)21-27(29)24-16-10-5-11-17-24/h3-17,20-21H,2,18-19H2,1H3/q+1