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

Systemtic Name: tert-butyl 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanoate Openeye Name: tert-butyl 2-(2,4,6-triphenylpyridin-1-ium-1-yl)acetate CAS Name: 2-(2,4,6-triphenyl-1-pyridin-1-iumyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2,4,6-triphenylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)acetic acid tert-butyl ester Formula: C29H28NO2+ MolecularWeight: 422.53812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28NO2/c1-29(2,3)32-28(31)21-30-26(23-15-9-5-10-16-23)19-25(22-13-7-4-8-14-22)20-27(30)24-17-11-6-12-18-24/h4-20H,21H2,1-3H3/q+1