ethyl 1-octyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1-octyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-octyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-octyl-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-octyl-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-octyl-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C28H34BF4NO2 MolecularWeight: 503.379673

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCC[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCC[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H34NO2.BF4/c1-3-5-6-7-8-15-20-29-26(24-18-13-10-14-19-24)21-25(23-16-11-9-12-17-23)22-27(29)28(30)31-4-2;2-1(3,4)5/h9-14,16-19,21-22H,3-8,15,20H2,1-2H3;/q+1;-1